CID 11627

593-15-7

Structural Information

Molecular Formula
C8H16F2
SMILES
C(CCCCF)CCCF
InChI
InChI=1S/C8H16F2/c9-7-5-3-1-2-4-6-8-10/h1-8H2
InChIKey
WVRAAZVJSUMZTJ-UHFFFAOYSA-N
Compound name
1,8-difluorooctane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

150.12201 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.12929 132.6
[M+Na]+ 173.11123 139.0
[M-H]- 149.11473 129.7
[M+NH4]+ 168.15583 154.0
[M+K]+ 189.08517 137.7
[M+H-H2O]+ 133.11927 126.1
[M+HCOO]- 195.12021 153.6
[M+CH3COO]- 209.13586 179.1
[M+Na-2H]- 171.09668 137.6
[M]+ 150.12146 132.3
[M]- 150.12256 132.3
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