CID 2734818

2-bromothiobenzamide

Structural Information

Molecular Formula
C7H6BrNS
SMILES
C1=CC=C(C(=C1)C(=S)N)Br
InChI
InChI=1S/C7H6BrNS/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H2,9,10)
InChIKey
GHCQWSAFBXLYSO-UHFFFAOYSA-N
Compound name
2-bromobenzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

154
Patents

214.94043 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.947706 128.4
[M+Na]+ 237.929648 140.4
[M-H]- 213.933154 134.8
[M+NH4]+ 232.974253 150.8
[M+K]+ 253.903588 127.9
[M+H-H2O]+ 197.937690 128.7
[M+HCOO]- 259.938631 145.6
[M+CH3COO]- 273.954281 184.7
[M+Na-2H]- 235.915096 133.6
[M]+ 214.93988142 145.7
[M]- 214.94097858 145.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe