CID 95744

2,2-difluoropropane-1,3-diol

Structural Information

Molecular Formula
C3H6F2O2
SMILES
C(C(CO)(F)F)O
InChI
InChI=1S/C3H6F2O2/c4-3(5,1-6)2-7/h6-7H,1-2H2
InChIKey
AMCKYDINHDOOCB-UHFFFAOYSA-N
Compound name
2,2-difluoropropane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

573
Patents

112.033585 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.040861 117.1
[M+Na]+ 135.022803 125.2
[M-H]- 111.026309 112.5
[M+NH4]+ 130.067408 138.5
[M+K]+ 150.996743 124.3
[M+H-H2O]+ 95.030845 112.2
[M+HCOO]- 157.031786 135.6
[M+CH3COO]- 171.047436 162.5
[M+Na-2H]- 133.008251 124.2
[M]+ 112.03303642 113.3
[M]- 112.03413358 113.3
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