CID 121708

Zinc;2-(2-carbamoylphenyl)benzenethiolate

Structural Information

Molecular Formula
C13H11NOS
SMILES
C1=CC=C(C(=C1)C2=CC=CC=C2S)C(=O)N
InChI
InChI=1S/C13H11NOS/c14-13(15)11-7-2-1-5-9(11)10-6-3-4-8-12(10)16/h1-8,16H,(H2,14,15)
InChIKey
ZRCXNEKPGBSNHE-UHFFFAOYSA-N
Compound name
2-(2-sulfanylphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.05614 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.063416 148.6
[M+Na]+ 252.045358 156.9
[M-H]- 228.048864 155.5
[M+NH4]+ 247.089963 166.7
[M+K]+ 268.019298 152.2
[M+H-H2O]+ 212.053400 141.7
[M+HCOO]- 274.054341 167.9
[M+CH3COO]- 288.069991 191.3
[M+Na-2H]- 250.030806 151.1
[M]+ 229.05559142 148.8
[M]- 229.05668858 148.8
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.