CID 3820533

90177-96-1

Structural Information

Molecular Formula
C8H6F12O2
SMILES
C(C(C(C(C(C(C(CO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C8H6F12O2/c9-3(10,1-21)5(13,14)7(17,18)8(19,20)6(15,16)4(11,12)2-22/h21-22H,1-2H2
InChIKey
XZJPYETUABEQFI-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctane-1,8-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

1089
Patents

362.0176 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.02488 183.5
[M+Na]+ 385.00682 183.3
[M+NH4]+ 380.05142 182.4
[M+K]+ 400.98076 181.9
[M-H]- 361.01032 177.7
[M+Na-2H]- 382.99227 181.0
[M]+ 362.01705 181.6
[M]- 362.01815 181.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe