CID 16227357

1-(4-fluorophenyl)-4,5,6,7-tetrahydro-1h-indazole-3-carboxylic acid

Structural Information

Molecular Formula
C14H13FN2O2
SMILES
C1CCC2=C(C1)C(=NN2C3=CC=C(C=C3)F)C(=O)O
InChI
InChI=1S/C14H13FN2O2/c15-9-5-7-10(8-6-9)17-12-4-2-1-3-11(12)13(16-17)14(18)19/h5-8H,1-4H2,(H,18,19)
InChIKey
JEYFVJAXUAOKMW-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.0961 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.103376 157.0
[M+Na]+ 283.085318 165.1
[M-H]- 259.088824 159.4
[M+NH4]+ 278.129923 173.0
[M+K]+ 299.059258 160.4
[M+H-H2O]+ 243.093360 148.0
[M+HCOO]- 305.094301 173.5
[M+CH3COO]- 319.109951 168.0
[M+Na-2H]- 281.070766 159.0
[M]+ 260.09555142 153.6
[M]- 260.09664858 153.6
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.