CID 7131566

1-{[4-(trifluoromethyl)phenyl]methyl}-1h-pyrazol-5-amine hydrochloride

Structural Information

Molecular Formula
C11H10F3N3
SMILES
C1=CC(=CC=C1CN2C(=CC=N2)N)C(F)(F)F
InChI
InChI=1S/C11H10F3N3/c12-11(13,14)9-3-1-8(2-4-9)7-17-10(15)5-6-16-17/h1-6H,7,15H2
InChIKey
CQQNWCGDXGYYLR-UHFFFAOYSA-N
Compound name
2-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

241.08269 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.08997 152.2
[M+Na]+ 264.07191 161.3
[M+NH4]+ 259.11651 157.4
[M+K]+ 280.04585 157.8
[M-H]- 240.07541 150.3
[M+Na-2H]- 262.05736 157.6
[M]+ 241.08214 152.6
[M]- 241.08324 152.6
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