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

28
Patents

126.04923 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.056506 121.8
[M+Na]+ 149.038448 129.4
[M-H]- 125.041954 117.0
[M+NH4]+ 144.083053 142.7
[M+K]+ 165.012388 128.3
[M+H-H2O]+ 109.046490 116.7
[M+HCOO]- 171.047431 140.0
[M+CH3COO]- 185.063081 165.5
[M+Na-2H]- 147.023896 128.3
[M]+ 126.04868142 118.4
[M]- 126.04977858 118.4
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