CID 13935577

2,2-difluorobutane-1,4-diol

Structural Information

Molecular Formula
C4H8F2O2
SMILES
C(CO)C(CO)(F)F
InChI
InChI=1S/C4H8F2O2/c5-4(6,3-8)1-2-7/h7-8H,1-3H2
InChIKey
LUHHBDLSEBKKQX-UHFFFAOYSA-N
Compound name
2,2-difluorobutane-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

126.04923 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.05651 125.0
[M+Na]+ 149.03845 132.5
[M+NH4]+ 144.08305 130.8
[M+K]+ 165.01239 129.0
[M-H]- 125.04195 119.9
[M+Na-2H]- 147.02390 126.7
[M]+ 126.04868 124.2
[M]- 126.04978 124.2
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

patents stripe