CID 9615

6-fluorohexyl methyl ether

Structural Information

Molecular Formula
C7H15FO
SMILES
COCCCCCCF
InChI
InChI=1S/C7H15FO/c1-9-7-5-3-2-4-6-8/h2-7H2,1H3
InChIKey
IRDWOWJPGRCPQK-UHFFFAOYSA-N
Compound name
1-fluoro-6-methoxyhexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

134.11069 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.11797 128.7
[M+Na]+ 157.09991 135.5
[M-H]- 133.10341 127.4
[M+NH4]+ 152.14451 150.8
[M+K]+ 173.07385 135.3
[M+H-H2O]+ 117.10795 123.2
[M+HCOO]- 179.10889 151.4
[M+CH3COO]- 193.12454 175.1
[M+Na-2H]- 155.08536 134.8
[M]+ 134.11014 130.7
[M]- 134.11124 130.7
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