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

426
Patents

112.033585 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.040861 116.6
[M+Na]+ 135.022803 124.4
[M-H]- 111.026309 113.2
[M+NH4]+ 130.067408 138.6
[M+K]+ 150.996743 124.6
[M+H-H2O]+ 95.030845 110.9
[M+HCOO]- 157.031786 137.2
[M+CH3COO]- 171.047436 165.7
[M+Na-2H]- 133.008251 122.4
[M]+ 112.03303642 114.6
[M]- 112.03413358 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