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]+ 174.08373 131.8
[M+Na]+ 196.06567 143.6
[M-H]- 172.06917 134.5
[M+NH4]+ 191.11027 148.0
[M+K]+ 212.03961 139.9
[M+H-H2O]+ 156.07371 123.6
[M+HCOO]- 218.07465 153.6
[M+CH3COO]- 232.09030 183.9
[M+Na-2H]- 194.05112 136.9
[M]+ 173.07590 131.1
[M]- 173.07700 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.