CID 135426086

380865-37-2

Structural Information

Molecular Formula
C14H8Cl2N2O2S
SMILES
C1=CC(=C(C(=C1)Cl)Cl)N=C2NC(=O)/C(=C/C3=CC=CO3)/S2
InChI
InChI=1S/C14H8Cl2N2O2S/c15-9-4-1-5-10(12(9)16)17-14-18-13(19)11(21-14)7-8-3-2-6-20-8/h1-7H,(H,17,18,19)/b11-7-
InChIKey
BHQRPHQIVPXTCQ-XFFZJAGNSA-N
Compound name
(5Z)-2-(2,3-dichlorophenyl)imino-5-(furan-2-ylmethylidene)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

337.96835 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.97563 179.3
[M+Na]+ 360.95757 190.3
[M-H]- 336.96107 189.0
[M+NH4]+ 356.00217 195.7
[M+K]+ 376.93151 183.6
[M+H-H2O]+ 320.96561 173.8
[M+HCOO]- 382.96655 188.8
[M+CH3COO]- 396.98220 190.9
[M+Na-2H]- 358.94302 176.2
[M]+ 337.96780 182.7
[M]- 337.96890 182.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe