CID 14576206

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

Structural Information

Molecular Formula
C14H13BrN2O2
SMILES
C1CCC2=C(C1)C(=NN2C3=CC=C(C=C3)Br)C(=O)O
InChI
InChI=1S/C14H13BrN2O2/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
DVJDROZKTORELN-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

320.01605 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.02333 167.4
[M+Na]+ 343.00527 170.4
[M+NH4]+ 338.04987 171.4
[M+K]+ 358.97921 171.7
[M-H]- 319.00877 168.0
[M+Na-2H]- 340.99072 169.4
[M]+ 320.01550 166.7
[M]- 320.01660 166.7
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

patents stripe