CID 66509391

1-[1-(difluoromethyl)-1h-pyrazol-3-yl]methanamine hydrochloride

Structural Information

Molecular Formula
C5H7F2N3
SMILES
C1=CN(N=C1CN)C(F)F
InChI
InChI=1S/C5H7F2N3/c6-5(7)10-2-1-4(3-8)9-10/h1-2,5H,3,8H2
InChIKey
FCRKMDZQHMOEKA-UHFFFAOYSA-N
Compound name
[1-(difluoromethyl)pyrazol-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

147.0608 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.06808 125.0
[M+Na]+ 170.05002 133.9
[M-H]- 146.05352 123.3
[M+NH4]+ 165.09462 145.0
[M+K]+ 186.02396 132.3
[M+H-H2O]+ 130.05806 116.3
[M+HCOO]- 192.05900 146.3
[M+CH3COO]- 206.07465 176.3
[M+Na-2H]- 168.03547 129.2
[M]+ 147.06025 120.9
[M]- 147.06135 120.9
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.