CID 2775949

7,7,8,8,8-pentafluorooctan-1-ol

Structural Information

Molecular Formula
C8H13F5O
SMILES
C(CCCO)CCC(C(F)(F)F)(F)F
InChI
InChI=1S/C8H13F5O/c9-7(10,8(11,12)13)5-3-1-2-4-6-14/h14H,1-6H2
InChIKey
JVIIYFXMBLZGQO-UHFFFAOYSA-N
Compound name
7,7,8,8,8-pentafluorooctan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

743
Patents

220.08865 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.09593 144.6
[M+Na]+ 243.07787 151.6
[M-H]- 219.08137 136.8
[M+NH4]+ 238.12247 162.3
[M+K]+ 259.05181 149.1
[M+H-H2O]+ 203.08591 136.3
[M+HCOO]- 265.08685 157.9
[M+CH3COO]- 279.10250 186.8
[M+Na-2H]- 241.06332 148.4
[M]+ 220.08810 138.5
[M]- 220.08920 138.5
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