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

18
Patents

165.05138 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.05866 128.5
[M+Na]+ 188.04060 138.7
[M-H]- 164.04410 124.7
[M+NH4]+ 183.08520 147.5
[M+K]+ 204.01454 135.6
[M+H-H2O]+ 148.04864 120.1
[M+HCOO]- 210.04958 146.6
[M+CH3COO]- 224.06523 176.5
[M+Na-2H]- 186.02605 132.8
[M]+ 165.05083 121.6
[M]- 165.05193 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