CID 49775903

(e)-chloro-(2,4-dichlorophenyl)-[(2,4-dichlorophenyl)methylene]-methyl-dispiro[[?]]dione

Structural Information

Molecular Formula
C31H24Cl5N3O2S
SMILES
CN1C/C(=C\C2=C(C=C(C=C2)Cl)Cl)/C(=O)[C@]3(C1)[C@H]([C@@H]4CSCN4[C@]35C6=C(C=CC(=C6)Cl)NC5=O)C7=C(C=C(C=C7)Cl)Cl
InChI
InChI=1S/C31H24Cl5N3O2S/c1-38-12-17(8-16-2-3-19(33)10-23(16)35)28(40)30(14-38)27(21-6-4-20(34)11-24(21)36)26-13-42-15-39(26)31(30)22-9-18(32)5-7-25(22)37-29(31)41/h2-11,26-27H,12-15H2,1H3,(H,37,41)/b17-8+/t26-,27-,30-,31-/m0/s1
InChIKey
JWQMQRBGSPGOPA-HTJOYMKWSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

677.0032 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 678.01048 252.6
[M+Na]+ 699.99242 262.6
[M-H]- 675.99592 257.9
[M+NH4]+ 695.03702 261.4
[M+K]+ 715.96636 255.6
[M+H-H2O]+ 660.00046 244.2
[M+HCOO]- 722.00140 234.6
[M+CH3COO]- 736.01705 254.7
[M+Na-2H]- 697.97787 238.4
[M]+ 677.00265 252.3
[M]- 677.00375 252.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.