CID 2802397

Methyl p-bromodithiocarbanilate

Structural Information

Molecular Formula
C8H8BrNS2
SMILES
CSC(=S)NC1=CC=C(C=C1)Br
InChI
InChI=1S/C8H8BrNS2/c1-12-8(11)10-7-4-2-6(9)3-5-7/h2-5H,1H3,(H,10,11)
InChIKey
PDHYVPIEZSMJRO-UHFFFAOYSA-N
Compound name
methyl N-(4-bromophenyl)carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

260.92816 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.93544 129.8
[M+Na]+ 283.91738 141.9
[M-H]- 259.92088 136.3
[M+NH4]+ 278.96198 151.1
[M+K]+ 299.89132 128.0
[M+H-H2O]+ 243.92542 130.0
[M+HCOO]- 305.92636 142.0
[M+CH3COO]- 319.94201 191.4
[M+Na-2H]- 281.90283 134.5
[M]+ 260.92761 148.9
[M]- 260.92871 148.9
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.