CID 12740

7-fluoroheptanal

Structural Information

Molecular Formula
C7H13FO
SMILES
C(CCCF)CCC=O
InChI
InChI=1S/C7H13FO/c8-6-4-2-1-3-5-7-9/h7H,1-6H2
InChIKey
ZKAOXODYSBGNRK-UHFFFAOYSA-N
Compound name
7-fluoroheptanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

132.09505 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.102326 127.1
[M+Na]+ 155.084268 134.2
[M-H]- 131.087774 125.8
[M+NH4]+ 150.128873 149.2
[M+K]+ 171.058208 133.3
[M+H-H2O]+ 115.092310 121.7
[M+HCOO]- 177.093251 150.0
[M+CH3COO]- 191.108901 174.2
[M+Na-2H]- 153.069716 133.2
[M]+ 132.09450142 128.3
[M]- 132.09559858 128.3
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