CID 2757147

10219-03-1

Structural Information

Molecular Formula
C8H7BrClNS
SMILES
CN(C1=CC=C(C=C1)Br)C(=S)Cl
InChI
InChI=1S/C8H7BrClNS/c1-11(8(10)12)7-4-2-6(9)3-5-7/h2-5H,1H3
InChIKey
PIWSHFJSEBRLGL-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-N-methylcarbamothioyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

262.9171 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.92438 136.9
[M+Na]+ 285.90632 149.7
[M-H]- 261.90982 145.2
[M+NH4]+ 280.95092 159.4
[M+K]+ 301.88026 136.9
[M+H-H2O]+ 245.91436 137.9
[M+HCOO]- 307.91530 150.6
[M+CH3COO]- 321.93095 194.4
[M+Na-2H]- 283.89177 141.9
[M]+ 262.91655 158.5
[M]- 262.91765 158.5
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

patents stripe