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

literature stripe

Patent stripe

patents stripe