CID 54594397

2-amino-4-fluoro-5-(4-methyl-1h-pyrazol-1-yl)benzoic acid hydrochloride

Structural Information

Molecular Formula
C11H10FN3O2
SMILES
CC1=CN(N=C1)C2=C(C=C(C(=C2)C(=O)O)N)F
InChI
InChI=1S/C11H10FN3O2/c1-6-4-14-15(5-6)10-2-7(11(16)17)9(13)3-8(10)12/h2-5H,13H2,1H3,(H,16,17)
InChIKey
HIWVEYQARJCNGE-UHFFFAOYSA-N
Compound name
2-amino-4-fluoro-5-(4-methylpyrazol-1-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.0757 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.08298 151.0
[M+Na]+ 258.06492 162.0
[M+NH4]+ 253.10952 156.7
[M+K]+ 274.03886 159.5
[M-H]- 234.06842 151.2
[M+Na-2H]- 256.05037 156.0
[M]+ 235.07515 152.2
[M]- 235.07625 152.2
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.