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
[2-methyl-5-(trifluoromethyl)pyrazol-3-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]+ 180.07431 132.6
[M+Na]+ 202.05625 142.8
[M-H]- 178.05975 130.0
[M+NH4]+ 197.10085 151.7
[M+K]+ 218.03019 140.4
[M+H-H2O]+ 162.06429 123.7
[M+HCOO]- 224.06523 151.8
[M+CH3COO]- 238.08088 182.1
[M+Na-2H]- 200.04170 136.8
[M]+ 179.06648 128.0
[M]- 179.06758 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.