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]+ 339.00234 169.0
[M+Na]+ 360.98428 174.7
[M-H]- 336.98778 174.9
[M+NH4]+ 356.02888 182.5
[M+K]+ 376.95822 163.0
[M+H-H2O]+ 320.99232 166.8
[M+HCOO]- 382.99326 178.8
[M+CH3COO]- 397.00891 200.9
[M+Na-2H]- 358.96973 171.5
[M]+ 337.99451 169.4
[M]- 337.99561 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.