CID 15245

1-chloro-6-fluorohexane

Structural Information

Molecular Formula
C6H12ClF
SMILES
C(CCCCl)CCF
InChI
InChI=1S/C6H12ClF/c7-5-3-1-2-4-6-8/h1-6H2
InChIKey
NASMVDMHYMZBIM-UHFFFAOYSA-N
Compound name
1-chloro-6-fluorohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

138.06116 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.06844 126.1
[M+Na]+ 161.05038 134.1
[M-H]- 137.05388 124.8
[M+NH4]+ 156.09498 148.9
[M+K]+ 177.02432 131.4
[M+H-H2O]+ 121.05842 121.8
[M+HCOO]- 183.05936 144.3
[M+CH3COO]- 197.07501 174.1
[M+Na-2H]- 159.03583 132.4
[M]+ 138.06061 128.0
[M]- 138.06171 128.0
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