CID 135491472

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

Structural Information

Molecular Formula
C13H9ClFNOS
SMILES
C1=CC(=CC=C1NC(=S)C2=C(C=CC(=C2)Cl)O)F
InChI
InChI=1S/C13H9ClFNOS/c14-8-1-6-12(17)11(7-8)13(18)16-10-4-2-9(15)3-5-10/h1-7,17H,(H,16,18)
InChIKey
TWGXTLALZYPHKY-UHFFFAOYSA-N
Compound name
5-chloro-N-(4-fluorophenyl)-2-hydroxybenzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.00775 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.01503 155.9
[M+Na]+ 303.99697 165.4
[M-H]- 280.00047 160.7
[M+NH4]+ 299.04157 172.6
[M+K]+ 319.97091 158.1
[M+H-H2O]+ 264.00501 149.5
[M+HCOO]- 326.00595 168.8
[M+CH3COO]- 340.02160 196.3
[M+Na-2H]- 301.98242 157.5
[M]+ 281.00720 156.8
[M]- 281.00830 156.8
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.