CID 17763172

1h-perfluorohexane-1,1-diol

Structural Information

Molecular Formula
C6H3F11O2
SMILES
C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(O)O
InChI
InChI=1S/C6H3F11O2/c7-2(8,1(18)19)3(9,10)4(11,12)5(13,14)6(15,16)17/h1,18-19H
InChIKey
KXQOFJJFAGOINP-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,6-undecafluorohexane-1,1-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

315.99573 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.00301 152.9
[M+Na]+ 338.98495 161.4
[M-H]- 314.98845 138.1
[M+NH4]+ 334.02955 165.1
[M+K]+ 354.95889 158.8
[M+H-H2O]+ 298.99299 141.6
[M+HCOO]- 360.99393 153.9
[M+CH3COO]- 375.00958 201.1
[M+Na-2H]- 336.97040 156.0
[M]+ 315.99518 134.3
[M]- 315.99628 134.3
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