CID 53412760

2-(2,2-difluoroethoxy)ethanol

Structural Information

Molecular Formula
C4H8F2O2
SMILES
C(COCC(F)F)O
InChI
InChI=1S/C4H8F2O2/c5-4(6)3-8-2-1-7/h4,7H,1-3H2
InChIKey
LAKNGWDSWAOQHA-UHFFFAOYSA-N
Compound name
2-(2,2-difluoroethoxy)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

126.04923 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.05651 121.3
[M+Na]+ 149.03845 128.7
[M-H]- 125.04195 117.7
[M+NH4]+ 144.08305 142.8
[M+K]+ 165.01239 128.7
[M+H-H2O]+ 109.04649 115.4
[M+HCOO]- 171.04743 141.6
[M+CH3COO]- 185.06308 168.7
[M+Na-2H]- 147.02390 126.5
[M]+ 126.04868 119.7
[M]- 126.04978 119.7
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