CID 19622830

1-(2,2-difluoroethyl)-1h-pyrazol-3-amine

Structural Information

Molecular Formula
C5H7F2N3
SMILES
C1=CN(N=C1N)CC(F)F
InChI
InChI=1S/C5H7F2N3/c6-4(7)3-10-2-1-5(8)9-10/h1-2,4H,3H2,(H2,8,9)
InChIKey
IEUJFYRUNRRGQY-UHFFFAOYSA-N
Compound name
1-(2,2-difluoroethyl)pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

147.0608 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.068076 125.0
[M+Na]+ 170.050018 133.9
[M-H]- 146.053524 123.3
[M+NH4]+ 165.094623 145.0
[M+K]+ 186.023958 132.3
[M+H-H2O]+ 130.058060 116.3
[M+HCOO]- 192.059001 146.3
[M+CH3COO]- 206.074651 176.3
[M+Na-2H]- 168.035466 129.2
[M]+ 147.06025142 120.9
[M]- 147.06134858 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

patents stripe