CID 135491473

5-chloro-2-hydroxy-n-(4-isopropylphenyl)benzenecarbothioamide

Structural Information

Molecular Formula
C16H16ClNOS
SMILES
CC(C)C1=CC=C(C=C1)NC(=S)C2=C(C=CC(=C2)Cl)O
InChI
InChI=1S/C16H16ClNOS/c1-10(2)11-3-6-13(7-4-11)18-16(20)14-9-12(17)5-8-15(14)19/h3-10,19H,1-2H3,(H,18,20)
InChIKey
XAHHAPTXEOSEHR-UHFFFAOYSA-N
Compound name
5-chloro-2-hydroxy-N-(4-propan-2-ylphenyl)benzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.06412 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.07140 167.0
[M+Na]+ 328.05334 174.8
[M-H]- 304.05684 172.8
[M+NH4]+ 323.09794 182.7
[M+K]+ 344.02728 167.9
[M+H-H2O]+ 288.06138 161.1
[M+HCOO]- 350.06232 178.9
[M+CH3COO]- 364.07797 203.5
[M+Na-2H]- 326.03879 166.5
[M]+ 305.06357 169.4
[M]- 305.06467 169.4
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.