CID 50896786

1431964-21-4

Structural Information

Molecular Formula
C6H8F3N3
SMILES
CN1C(=CC(=N1)C(F)(F)F)CN
InChI
InChI=1S/C6H8F3N3/c1-12-4(3-10)2-5(11-12)6(7,8)9/h2H,3,10H2,1H3
InChIKey
BFJJRLFTZRCIRT-UHFFFAOYSA-N
Compound name
[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.06703 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.074306 132.6
[M+Na]+ 202.056248 142.8
[M-H]- 178.059754 130.0
[M+NH4]+ 197.100853 151.7
[M+K]+ 218.030188 140.4
[M+H-H2O]+ 162.064290 123.7
[M+HCOO]- 224.065231 151.8
[M+CH3COO]- 238.080881 182.1
[M+Na-2H]- 200.041696 136.8
[M]+ 179.06648142 128.0
[M]- 179.06757858 128.0
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.