CID 14571268

Heptadecafluorooctan-1-ol

Structural Information

Molecular Formula
C8HF17O
SMILES
C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(C(O)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8HF17O/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)26/h26H
InChIKey
UQDUPHDELLQMOV-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

3896
Patents

435.9756 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.982876 182.2
[M+Na]+ 458.964818 157.3
[M-H]- 434.968324 157.6
[M+NH4]+ 454.009423 158.8
[M+K]+ 474.938758 188.2
[M+H-H2O]+ 418.972860 167.3
[M+HCOO]- 480.973801 172.4
[M+CH3COO]- 494.989451 225.7
[M+Na-2H]- 456.950266 185.2
[M]+ 435.97505142 150.6
[M]- 435.97614858 150.6
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