CID 137963795

2229156-81-2

Structural Information

Molecular Formula
C7H9F2N3
SMILES
C1C(C1(F)F)N2C(=CC=N2)CN
InChI
InChI=1S/C7H9F2N3/c8-7(9)3-6(7)12-5(4-10)1-2-11-12/h1-2,6H,3-4,10H2
InChIKey
STKJMGHYXDMPCM-UHFFFAOYSA-N
Compound name
[2-(2,2-difluorocyclopropyl)pyrazol-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.07645 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.083726 131.8
[M+Na]+ 196.065668 143.6
[M-H]- 172.069174 134.5
[M+NH4]+ 191.110273 148.0
[M+K]+ 212.039608 139.9
[M+H-H2O]+ 156.073710 123.6
[M+HCOO]- 218.074651 153.6
[M+CH3COO]- 232.090301 183.9
[M+Na-2H]- 194.051116 136.9
[M]+ 173.07590142 131.1
[M]- 173.07699858 131.1
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.