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]+ 258.084876 151.9
[M+Na]+ 280.066818 161.2
[M-H]- 256.070324 152.2
[M+NH4]+ 275.111423 167.4
[M+K]+ 296.040758 157.1
[M+H-H2O]+ 240.074860 141.2
[M+HCOO]- 302.075801 171.2
[M+CH3COO]- 316.091451 194.7
[M+Na-2H]- 278.052266 156.0
[M]+ 257.07705142 148.3
[M]- 257.07814858 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