CID 99982813

1706440-17-6

Structural Information

Molecular Formula
C5H6F3N3
SMILES
C1=C(C=NN1C(F)(F)F)CN
InChI
InChI=1S/C5H6F3N3/c6-5(7,8)11-3-4(1-9)2-10-11/h2-3H,1,9H2
InChIKey
ISWSQSVEDDSCDE-UHFFFAOYSA-N
Compound name
[1-(trifluoromethyl)pyrazol-4-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.05138 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.05866 127.8
[M+Na]+ 188.04060 137.5
[M-H]- 164.04410 124.9
[M+NH4]+ 183.08520 147.2
[M+K]+ 204.01454 135.3
[M+H-H2O]+ 148.04864 118.8
[M+HCOO]- 210.04958 147.4
[M+CH3COO]- 224.06523 177.9
[M+Na-2H]- 186.02605 133.3
[M]+ 165.05083 122.5
[M]- 165.05193 122.5
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.