CID 66424133

5-(difluoromethyl)-1-phenyl-1h-pyrazol-4-amine hydrochloride

Structural Information

Molecular Formula
C10H9F2N3
SMILES
C1=CC=C(C=C1)N2C(=C(C=N2)N)C(F)F
InChI
InChI=1S/C10H9F2N3/c11-10(12)9-8(13)6-14-15(9)7-4-2-1-3-5-7/h1-6,10H,13H2
InChIKey
BCAPILVWAGARFV-UHFFFAOYSA-N
Compound name
5-(difluoromethyl)-1-phenylpyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.07645 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.083726 141.0
[M+Na]+ 232.065668 150.1
[M-H]- 208.069174 142.6
[M+NH4]+ 227.110273 158.4
[M+K]+ 248.039608 146.2
[M+H-H2O]+ 192.073710 131.1
[M+HCOO]- 254.074651 162.2
[M+CH3COO]- 268.090301 188.0
[M+Na-2H]- 230.051116 144.3
[M]+ 209.07590142 136.8
[M]- 209.07699858 136.8
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

patents stripe