CID 82236023

(4-fluorophenyl)(1h-pyrazol-4-yl)methanamine

Structural Information

Molecular Formula
C10H10FN3
SMILES
C1=CC(=CC=C1C(C2=CNN=C2)N)F
InChI
InChI=1S/C10H10FN3/c11-9-3-1-7(2-4-9)10(12)8-5-13-14-6-8/h1-6,10H,12H2,(H,13,14)
InChIKey
CPHWYXPMEZGKAF-UHFFFAOYSA-N
Compound name
(4-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

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.093156 138.6
[M+Na]+ 214.075098 146.4
[M-H]- 190.078604 140.0
[M+NH4]+ 209.119703 155.9
[M+K]+ 230.049038 142.1
[M+H-H2O]+ 174.083140 129.8
[M+HCOO]- 236.084081 159.5
[M+CH3COO]- 250.099731 150.6
[M+Na-2H]- 212.060546 142.9
[M]+ 191.08533142 133.4
[M]- 191.08642858 133.4
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.