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]+ 285.103376 162.8
[M+Na]+ 307.085318 173.6
[M-H]- 283.088824 167.5
[M+NH4]+ 302.129923 178.9
[M+K]+ 323.059258 168.7
[M+H-H2O]+ 267.093360 153.2
[M+HCOO]- 329.094301 184.4
[M+CH3COO]- 343.109951 175.3
[M+Na-2H]- 305.070766 167.1
[M]+ 284.09555142 166.2
[M]- 284.09664858 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.