CID 11626

1-chloro-8-fluorooctane

Structural Information

Molecular Formula
C8H16ClF
SMILES
C(CCCCCl)CCCF
InChI
InChI=1S/C8H16ClF/c9-7-5-3-1-2-4-6-8-10/h1-8H2
InChIKey
JVNBJLUJOYZINW-UHFFFAOYSA-N
Compound name
1-chloro-8-fluorooctane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

166.09245 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.09973 135.5
[M+Na]+ 189.08167 142.7
[M-H]- 165.08517 133.8
[M+NH4]+ 184.12627 157.2
[M+K]+ 205.05561 139.5
[M+H-H2O]+ 149.08971 130.8
[M+HCOO]- 211.09065 153.1
[M+CH3COO]- 225.10630 180.1
[M+Na-2H]- 187.06712 140.7
[M]+ 166.09190 138.1
[M]- 166.09300 138.1
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