CID 16783565

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

Structural Information

Molecular Formula
C11H10F3N3O
SMILES
C1=CC(=CC=C1CN2C(=CC=N2)N)OC(F)(F)F
InChI
InChI=1S/C11H10F3N3O/c12-11(13,14)18-9-3-1-8(2-4-9)7-17-10(15)5-6-16-17/h1-6H,7,15H2
InChIKey
YDKROERRTYCSRC-UHFFFAOYSA-N
Compound name
2-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

257.0776 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.08488 151.9
[M+Na]+ 280.06682 161.2
[M-H]- 256.07032 152.2
[M+NH4]+ 275.11142 167.4
[M+K]+ 296.04076 157.1
[M+H-H2O]+ 240.07486 141.2
[M+HCOO]- 302.07580 171.2
[M+CH3COO]- 316.09145 194.7
[M+Na-2H]- 278.05227 156.0
[M]+ 257.07705 148.3
[M]- 257.07815 148.3
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