CID 901311

3-hydroxy-n-[3-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide

Structural Information

Molecular Formula
C16H10F3NO2S
SMILES
C1=CC=C2C(=C1)C(=C(S2)C(=O)NC3=CC=CC(=C3)C(F)(F)F)O
InChI
InChI=1S/C16H10F3NO2S/c17-16(18,19)9-4-3-5-10(8-9)20-15(22)14-13(21)11-6-1-2-7-12(11)23-14/h1-8,21H,(H,20,22)
InChIKey
QYMUBXIHFGGQDX-UHFFFAOYSA-N
Compound name
3-hydroxy-N-[3-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

337.03842 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.04570 170.6
[M+Na]+ 360.02764 180.9
[M-H]- 336.03114 174.2
[M+NH4]+ 355.07224 187.0
[M+K]+ 376.00158 174.5
[M+H-H2O]+ 320.03568 162.1
[M+HCOO]- 382.03662 185.7
[M+CH3COO]- 396.05227 206.1
[M+Na-2H]- 358.01309 172.8
[M]+ 337.03787 170.5
[M]- 337.03897 170.5
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

patents stripe