CID 737238

3-chlorothiobenzamide

Structural Information

Molecular Formula
C7H6ClNS
SMILES
C1=CC(=CC(=C1)Cl)C(=S)N
InChI
InChI=1S/C7H6ClNS/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H2,9,10)
InChIKey
OQEBJXXIPHYYEG-UHFFFAOYSA-N
Compound name
3-chlorobenzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

123
Patents

170.99095 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.99823 131.9
[M+Na]+ 193.98017 145.0
[M+NH4]+ 189.02477 142.0
[M+K]+ 209.95411 136.0
[M-H]- 169.98367 135.3
[M+Na-2H]- 191.96562 138.9
[M]+ 170.99040 135.5
[M]- 170.99150 135.5
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