CID 135491434

5-chloro-2-hydroxy-n-phenyl-benzenecarbothioamide

Structural Information

Molecular Formula
C13H10ClNOS
SMILES
C1=CC=C(C=C1)NC(=S)C2=C(C=CC(=C2)Cl)O
InChI
InChI=1S/C13H10ClNOS/c14-9-6-7-12(16)11(8-9)13(17)15-10-4-2-1-3-5-10/h1-8,16H,(H,15,17)
InChIKey
JSPRPVSIIFGGRZ-UHFFFAOYSA-N
Compound name
5-chloro-2-hydroxy-N-phenylbenzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.01715 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.02443 154.1
[M+Na]+ 286.00637 162.8
[M-H]- 262.00987 160.0
[M+NH4]+ 281.05097 171.4
[M+K]+ 301.98031 155.9
[M+H-H2O]+ 246.01441 148.5
[M+HCOO]- 308.01535 168.1
[M+CH3COO]- 322.03100 192.5
[M+Na-2H]- 283.99182 156.9
[M]+ 263.01660 155.6
[M]- 263.01770 155.6
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.