CID 137935711

2253629-54-6

Structural Information

Molecular Formula
C11H9FN2O2
SMILES
CN1C=NC=C1C2=C(C=CC(=C2)F)C(=O)O
InChI
InChI=1S/C11H9FN2O2/c1-14-6-13-5-10(14)9-4-7(12)2-3-8(9)11(15)16/h2-6H,1H3,(H,15,16)
InChIKey
KRYAPUXTSDTMLA-UHFFFAOYSA-N
Compound name
4-fluoro-2-(3-methylimidazol-4-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.0648 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.07208 147.7
[M+Na]+ 243.05402 160.0
[M+NH4]+ 238.09862 154.1
[M+K]+ 259.02796 156.5
[M-H]- 219.05752 147.8
[M+Na-2H]- 241.03947 153.7
[M]+ 220.06425 149.2
[M]- 220.06535 149.2
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.