CID 79487322

1501527-36-1

Structural Information

Molecular Formula
C10H10FN3
SMILES
C1=CC(=CC(=C1)F)C2=C(C=NN2)CN
InChI
InChI=1S/C10H10FN3/c11-9-3-1-2-7(4-9)10-8(5-12)6-13-14-10/h1-4,6H,5,12H2,(H,13,14)
InChIKey
FKLOOHRTPTXWKO-UHFFFAOYSA-N
Compound name
[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.08588 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.09316 139.8
[M+Na]+ 214.07510 151.6
[M+NH4]+ 209.11970 147.2
[M+K]+ 230.04904 147.1
[M-H]- 190.07860 141.4
[M+Na-2H]- 212.06055 147.1
[M]+ 191.08533 141.6
[M]- 191.08643 141.6
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.