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]+ 192.09316 138.6
[M+Na]+ 214.07510 146.4
[M-H]- 190.07860 140.0
[M+NH4]+ 209.11970 155.9
[M+K]+ 230.04904 142.1
[M+H-H2O]+ 174.08314 129.8
[M+HCOO]- 236.08408 159.5
[M+CH3COO]- 250.09973 150.6
[M+Na-2H]- 212.06055 142.9
[M]+ 191.08533 133.4
[M]- 191.08643 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.