CID 19828973

2-(difluoromethoxy)ethan-1-ol

Structural Information

Molecular Formula
C3H6F2O2
SMILES
C(COC(F)F)O
InChI
InChI=1S/C3H6F2O2/c4-3(5)7-2-1-6/h3,6H,1-2H2
InChIKey
IHIKAQWBBZLXFF-UHFFFAOYSA-N
Compound name
2-(difluoromethoxy)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

431
Patents

112.033585 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.04086 116.6
[M+Na]+ 135.02280 124.4
[M-H]- 111.02631 113.2
[M+NH4]+ 130.06741 138.6
[M+K]+ 150.99674 124.6
[M+H-H2O]+ 95.030845 110.9
[M+HCOO]- 157.03179 137.2
[M+CH3COO]- 171.04744 165.7
[M+Na-2H]- 133.00825 122.4
[M]+ 112.03304 114.6
[M]- 112.03413 114.6
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

patents stripe