CID 3424808

1-(2-fluorobenzyl)-1h-pyrazol-3-amine hydrochloride

Structural Information

Molecular Formula
C10H10FN3
SMILES
C1=CC=C(C(=C1)CN2C=CC(=N2)N)F
InChI
InChI=1S/C10H10FN3/c11-9-4-2-1-3-8(9)7-14-6-5-10(12)13-14/h1-6H,7H2,(H2,12,13)
InChIKey
WJLNDRKSXLMBKK-UHFFFAOYSA-N
Compound name
1-[(2-fluorophenyl)methyl]pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

5
Patents

191.08588 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.09316 138.1
[M+Na]+ 214.07510 147.5
[M-H]- 190.07860 141.0
[M+NH4]+ 209.11970 156.4
[M+K]+ 230.04904 143.5
[M+H-H2O]+ 174.08314 129.1
[M+HCOO]- 236.08408 161.4
[M+CH3COO]- 250.09973 151.2
[M+Na-2H]- 212.06055 143.2
[M]+ 191.08533 135.6
[M]- 191.08643 135.6
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