CID 487724

Oprea1_380405

Structural Information

Molecular Formula
C13H9ClFNO2
SMILES
C1=CC(=CC(=C1)F)NC(=O)C2=C(C=CC(=C2)Cl)O
InChI
InChI=1S/C13H9ClFNO2/c14-8-4-5-12(17)11(6-8)13(18)16-10-3-1-2-9(15)7-10/h1-7,17H,(H,16,18)
InChIKey
QTUGKJSITPOTCK-UHFFFAOYSA-N
Compound name
5-chloro-N-(3-fluorophenyl)-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

7
Patents

265.03058 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.03786 153.8
[M+Na]+ 288.01980 163.2
[M-H]- 264.02330 158.5
[M+NH4]+ 283.06440 170.5
[M+K]+ 303.99374 157.4
[M+H-H2O]+ 248.02784 146.9
[M+HCOO]- 310.02878 172.1
[M+CH3COO]- 324.04443 194.8
[M+Na-2H]- 286.00525 157.9
[M]+ 265.03003 153.9
[M]- 265.03113 153.9
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.