CID 58124744

Methyl 1-(4-fluorobenzyl)-1h-indazole-3-carboxylate

Structural Information

Molecular Formula
C16H13FN2O2
SMILES
COC(=O)C1=NN(C2=CC=CC=C21)CC3=CC=C(C=C3)F
InChI
InChI=1S/C16H13FN2O2/c1-21-16(20)15-13-4-2-3-5-14(13)19(18-15)10-11-6-8-12(17)9-7-11/h2-9H,10H2,1H3
InChIKey
UUCUVSWGJOQWCA-UHFFFAOYSA-N
Compound name
methyl 1-[(4-fluorophenyl)methyl]indazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

284.0961 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.10338 162.8
[M+Na]+ 307.08532 173.6
[M-H]- 283.08882 167.5
[M+NH4]+ 302.12992 178.9
[M+K]+ 323.05926 168.7
[M+H-H2O]+ 267.09336 153.2
[M+HCOO]- 329.09430 184.4
[M+CH3COO]- 343.10995 175.3
[M+Na-2H]- 305.07077 167.1
[M]+ 284.09555 166.2
[M]- 284.09665 166.2
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.