CID 19619544

1431966-31-2

Structural Information

Molecular Formula
C7H10F3N3
SMILES
CC1=C(C(=NN1CC(F)(F)F)C)N
InChI
InChI=1S/C7H10F3N3/c1-4-6(11)5(2)13(12-4)3-7(8,9)10/h3,11H2,1-2H3
InChIKey
HWDHGUWGXYQKHW-UHFFFAOYSA-N
Compound name
3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.08269 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.08997 137.3
[M+Na]+ 216.07191 148.0
[M-H]- 192.07541 134.9
[M+NH4]+ 211.11651 156.2
[M+K]+ 232.04585 145.3
[M+H-H2O]+ 176.07995 128.6
[M+HCOO]- 238.08089 156.2
[M+CH3COO]- 252.09654 186.3
[M+Na-2H]- 214.05736 140.3
[M]+ 193.08214 133.4
[M]- 193.08324 133.4
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

No patent data available for this compound.