CID 2758246

1-ethoxy-2,2-difluoroethanol

Structural Information

Molecular Formula
C4H8F2O2
SMILES
CCOC(C(F)F)O
InChI
InChI=1S/C4H8F2O2/c1-2-8-4(7)3(5)6/h3-4,7H,2H2,1H3
InChIKey
WEEOMNFWRCDRJI-UHFFFAOYSA-N
Compound name
1-ethoxy-2,2-difluoroethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

249
Patents

126.04923 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.056506 121.7
[M+Na]+ 149.038448 128.9
[M-H]- 125.041954 118.2
[M+NH4]+ 144.083053 143.1
[M+K]+ 165.012388 129.3
[M+H-H2O]+ 109.046490 115.8
[M+HCOO]- 171.047431 141.0
[M+CH3COO]- 185.063081 169.6
[M+Na-2H]- 147.023896 125.6
[M]+ 126.04868142 119.4
[M]- 126.04977858 119.4
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