CID 5249254

2,2,3,3,4,4,4-heptafluorobutane-1,1-diol

Structural Information

Molecular Formula
C4H3F7O2
SMILES
C(C(C(C(F)(F)F)(F)F)(F)F)(O)O
InChI
InChI=1S/C4H3F7O2/c5-2(6,1(12)13)3(7,8)4(9,10)11/h1,12-13H
InChIKey
GHXAOYAGFDREMN-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluorobutane-1,1-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

216.00212 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.00940 133.2
[M+Na]+ 238.99134 141.6
[M-H]- 214.99484 122.5
[M+NH4]+ 234.03594 149.9
[M+K]+ 254.96528 139.9
[M+H-H2O]+ 198.99938 124.6
[M+HCOO]- 261.00032 141.9
[M+CH3COO]- 275.01597 181.6
[M+Na-2H]- 236.97679 137.3
[M]+ 216.00157 121.0
[M]- 216.00267 121.0
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