CID 3067343

2-(4-fluorophenyl)indazole

Structural Information

Molecular Formula
C13H9FN2
SMILES
C1=CC2=CN(N=C2C=C1)C3=CC=C(C=C3)F
InChI
InChI=1S/C13H9FN2/c14-11-5-7-12(8-6-11)16-9-10-3-1-2-4-13(10)15-16/h1-9H
InChIKey
XESDDYSPKWRMMF-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

212.07498 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.08226 142.4
[M+Na]+ 235.06420 154.0
[M-H]- 211.06770 147.0
[M+NH4]+ 230.10880 161.4
[M+K]+ 251.03814 148.5
[M+H-H2O]+ 195.07224 133.3
[M+HCOO]- 257.07318 165.5
[M+CH3COO]- 271.08883 156.2
[M+Na-2H]- 233.04965 150.2
[M]+ 212.07443 142.9
[M]- 212.07553 142.9
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