CID 9769

6-fluorohexanal

Structural Information

Molecular Formula
C6H11FO
SMILES
C(CCC=O)CCF
InChI
InChI=1S/C6H11FO/c7-5-3-1-2-4-6-8/h6H,1-5H2
InChIKey
XCDORMVUFPWKBP-UHFFFAOYSA-N
Compound name
6-fluorohexanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

117
Patents

118.07939 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.08667 122.4
[M+Na]+ 141.06861 129.9
[M-H]- 117.07211 121.3
[M+NH4]+ 136.11321 145.1
[M+K]+ 157.04255 129.3
[M+H-H2O]+ 101.07665 117.2
[M+HCOO]- 163.07759 145.6
[M+CH3COO]- 177.09324 171.1
[M+Na-2H]- 139.05406 129.1
[M]+ 118.07884 123.3
[M]- 118.07994 123.3
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