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

1
Patents

209.07645 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.08373 141.0
[M+Na]+ 232.06567 150.1
[M-H]- 208.06917 142.6
[M+NH4]+ 227.11027 158.4
[M+K]+ 248.03961 146.2
[M+H-H2O]+ 192.07371 131.1
[M+HCOO]- 254.07465 162.2
[M+CH3COO]- 268.09030 188.0
[M+Na-2H]- 230.05112 144.3
[M]+ 209.07590 136.8
[M]- 209.07700 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