CID 136187

2,2-difluoroethan-1-ol

Structural Information

Molecular Formula
C2H4F2O
SMILES
C(C(F)F)O
InChI
InChI=1S/C2H4F2O/c3-2(4)1-5/h2,5H,1H2
InChIKey
VOGSDFLJZPNWHY-UHFFFAOYSA-N
Compound name
2,2-difluoroethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

14552
Patents

82.02302 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 83.030296 108.9
[M+Na]+ 105.01224 117.1
[M-H]- 81.015744 105.7
[M+NH4]+ 100.05684 132.2
[M+K]+ 120.98618 117.3
[M+H-H2O]+ 65.020280 103.7
[M+HCOO]- 127.02122 129.6
[M+CH3COO]- 141.03687 160.7
[M+Na-2H]- 102.99769 115.3
[M]+ 82.022471 105.1
[M]- 82.023569 105.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe