CID 206430

1-[(4-fluorophenyl)methyl]-1h-indazole-3-carboxylic acid

Structural Information

Molecular Formula
C15H11FN2O2
SMILES
C1=CC=C2C(=C1)C(=NN2CC3=CC=C(C=C3)F)C(=O)O
InChI
InChI=1S/C15H11FN2O2/c16-11-7-5-10(6-8-11)9-18-13-4-2-1-3-12(13)14(17-18)15(19)20/h1-8H,9H2,(H,19,20)
InChIKey
VRKPPEZAPRSYRE-UHFFFAOYSA-N
Compound name
1-[(4-fluorophenyl)methyl]indazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

270.08044 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.08772 158.0
[M+Na]+ 293.06966 168.8
[M-H]- 269.07316 161.5
[M+NH4]+ 288.11426 173.9
[M+K]+ 309.04360 163.2
[M+H-H2O]+ 253.07770 148.9
[M+HCOO]- 315.07864 178.5
[M+CH3COO]- 329.09429 170.2
[M+Na-2H]- 291.05511 162.5
[M]+ 270.07989 159.3
[M]- 270.08099 159.3
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