CID 168025632

2-(difluoromethyl)propane-1,3-diol

Structural Information

Molecular Formula
C4H8F2O2
SMILES
C(C(CO)C(F)F)O
InChI
InChI=1S/C4H8F2O2/c5-4(6)3(1-7)2-8/h3-4,7-8H,1-2H2
InChIKey
FAJHXQVTDPHGDX-UHFFFAOYSA-N
Compound name
2-(difluoromethyl)propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

126.04923 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.05651 122.5
[M+Na]+ 149.03845 129.2
[M-H]- 125.04195 117.5
[M+NH4]+ 144.08305 143.1
[M+K]+ 165.01239 128.7
[M+H-H2O]+ 109.04649 116.8
[M+HCOO]- 171.04743 140.2
[M+CH3COO]- 185.06308 166.9
[M+Na-2H]- 147.02390 125.8
[M]+ 126.04868 118.2
[M]- 126.04978 118.2
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

No patent data available for this compound.