CID 3045419

Brn 3075639

Structural Information

Molecular Formula
C18H12Cl6N2O2
SMILES
C1CC(C1)(C(=O)NC2=CC(=C(C(=C2)Cl)Cl)Cl)C(=O)NC3=CC(=C(C(=C3)Cl)Cl)Cl
InChI
InChI=1S/C18H12Cl6N2O2/c19-10-4-8(5-11(20)14(10)23)25-16(27)18(2-1-3-18)17(28)26-9-6-12(21)15(24)13(22)7-9/h4-7H,1-3H2,(H,25,27)(H,26,28)
InChIKey
PLOWIVLKUYODAN-UHFFFAOYSA-N
Compound name
1-N,1-N'-bis(3,4,5-trichlorophenyl)cyclobutane-1,1-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

497.90298 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.91026 192.4
[M+Na]+ 520.89220 199.3
[M-H]- 496.89570 193.3
[M+NH4]+ 515.93680 196.3
[M+K]+ 536.86614 196.3
[M+H-H2O]+ 480.90024 184.8
[M+HCOO]- 542.90118 184.7
[M+CH3COO]- 556.91683 238.1
[M+Na-2H]- 518.87765 187.8
[M]+ 497.90243 198.4
[M]- 497.90353 198.4
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.