CID 3032530

P-nitrobenzyl p-chlorodithiocarbanilate

Structural Information

Molecular Formula
C14H11ClN2O2S2
SMILES
C1=CC(=CC=C1CSC(=S)NC2=CC=C(C=C2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C14H11ClN2O2S2/c15-11-3-5-12(6-4-11)16-14(20)21-9-10-1-7-13(8-2-10)17(18)19/h1-8H,9H2,(H,16,20)
InChIKey
NRJFZTMZMJLZRF-UHFFFAOYSA-N
Compound name
(4-nitrophenyl)methyl N-(4-chlorophenyl)carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.99506 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.002336 169.0
[M+Na]+ 360.984278 174.7
[M-H]- 336.987784 174.9
[M+NH4]+ 356.028883 182.5
[M+K]+ 376.958218 163.0
[M+H-H2O]+ 320.992320 166.8
[M+HCOO]- 382.993261 178.8
[M+CH3COO]- 397.008911 200.9
[M+Na-2H]- 358.969726 171.5
[M]+ 337.99451142 169.4
[M]- 337.99560858 169.4
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.