CID 9856

1-octanol, 8-fluoro-

Structural Information

Molecular Formula
C8H17FO
SMILES
C(CCCCF)CCCO
InChI
InChI=1S/C8H17FO/c9-7-5-3-1-2-4-6-8-10/h10H,1-8H2
InChIKey
DGGXBEHZGMUMOU-UHFFFAOYSA-N
Compound name
8-fluorooctan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

210
Patents

148.12634 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.13362 134.1
[M+Na]+ 171.11556 140.1
[M-H]- 147.11906 131.2
[M+NH4]+ 166.16016 154.9
[M+K]+ 187.08950 138.5
[M+H-H2O]+ 131.12360 128.6
[M+HCOO]- 193.12454 154.9
[M+CH3COO]- 207.14019 175.3
[M+Na-2H]- 169.10101 139.1
[M]+ 148.12579 134.5
[M]- 148.12689 134.5
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