CID 3032436

P-chlorobenzyl p-bromodithiocarbanilate

Structural Information

Molecular Formula
C14H11BrClNS2
SMILES
C1=CC(=CC=C1CSC(=S)NC2=CC=C(C=C2)Br)Cl
InChI
InChI=1S/C14H11BrClNS2/c15-11-3-7-13(8-4-11)17-14(18)19-9-10-1-5-12(16)6-2-10/h1-8H,9H2,(H,17,18)
InChIKey
CGQIWHPAKMCHJY-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)methyl N-(4-bromophenyl)carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.92047 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.927746 154.0
[M+Na]+ 393.909688 166.5
[M-H]- 369.913194 163.2
[M+NH4]+ 388.954293 172.1
[M+K]+ 409.883628 150.0
[M+H-H2O]+ 353.917730 154.6
[M+HCOO]- 415.918671 161.9
[M+CH3COO]- 429.934321 167.7
[M+Na-2H]- 391.895136 157.9
[M]+ 370.91992142 175.2
[M]- 370.92101858 175.2
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.