CID 137942799

3-(2,2-difluoroethoxy)-1h-pyrazol-4-amine

Structural Information

Molecular Formula
C5H7F2N3O
SMILES
C1=NNC(=C1N)OCC(F)F
InChI
InChI=1S/C5H7F2N3O/c6-4(7)2-11-5-3(8)1-9-10-5/h1,4H,2,8H2,(H,9,10)
InChIKey
ZKPFXUGLQBUKJQ-UHFFFAOYSA-N
Compound name
5-(2,2-difluoroethoxy)-1H-pyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.05573 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.06301 128.3
[M+Na]+ 186.04495 136.6
[M-H]- 162.04845 125.1
[M+NH4]+ 181.08955 146.8
[M+K]+ 202.01889 134.6
[M+H-H2O]+ 146.05299 119.6
[M+HCOO]- 208.05393 148.3
[M+CH3COO]- 222.06958 175.7
[M+Na-2H]- 184.03040 132.0
[M]+ 163.05518 123.6
[M]- 163.05628 123.6
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.