CID 80611193

1-cyclopropyl-2,2-difluoroethan-1-ol

Structural Information

Molecular Formula
C5H8F2O
SMILES
C1CC1C(C(F)F)O
InChI
InChI=1S/C5H8F2O/c6-5(7)4(8)3-1-2-3/h3-5,8H,1-2H2
InChIKey
JOFBPBKYYUJBBV-UHFFFAOYSA-N
Compound name
1-cyclopropyl-2,2-difluoroethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

122.05432 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.06160 116.8
[M+Na]+ 145.04354 125.4
[M-H]- 121.04704 117.7
[M+NH4]+ 140.08814 133.4
[M+K]+ 161.01748 123.7
[M+H-H2O]+ 105.05158 109.8
[M+HCOO]- 167.05252 136.2
[M+CH3COO]- 181.06817 172.9
[M+Na-2H]- 143.02899 121.3
[M]+ 122.05377 114.9
[M]- 122.05487 114.9
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.