CID 11480632

261528-47-6

Structural Information

Molecular Formula
C5H6F3N3
SMILES
CC1=C(NN=C1N)C(F)(F)F
InChI
InChI=1S/C5H6F3N3/c1-2-3(5(6,7)8)10-11-4(2)9/h1H3,(H3,9,10,11)
InChIKey
YTARZCOGKBEMSD-UHFFFAOYSA-N
Compound name
4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

165.05138 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.058656 128.5
[M+Na]+ 188.040598 138.7
[M-H]- 164.044104 124.7
[M+NH4]+ 183.085203 147.5
[M+K]+ 204.014538 135.6
[M+H-H2O]+ 148.048640 120.1
[M+HCOO]- 210.049581 146.6
[M+CH3COO]- 224.065231 176.5
[M+Na-2H]- 186.026046 132.8
[M]+ 165.05083142 121.6
[M]- 165.05192858 121.6
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