CID 129913992

3-chloro-4-sulfanylbenzamide

Structural Information

Molecular Formula
C7H6ClNOS
SMILES
C1=CC(=C(C=C1C(=O)N)Cl)S
InChI
InChI=1S/C7H6ClNOS/c8-5-3-4(7(9)10)1-2-6(5)11/h1-3,11H,(H2,9,10)
InChIKey
FNFDRQNCCXPITC-UHFFFAOYSA-N
Compound name
3-chloro-4-sulfanylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.98586 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.99314 133.4
[M+Na]+ 209.97508 143.3
[M-H]- 185.97858 137.5
[M+NH4]+ 205.01968 154.4
[M+K]+ 225.94902 138.9
[M+H-H2O]+ 169.98312 129.2
[M+HCOO]- 231.98406 148.4
[M+CH3COO]- 245.99971 181.3
[M+Na-2H]- 207.96053 135.6
[M]+ 186.98531 135.7
[M]- 186.98641 135.7
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.