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]+ 133.10233 127.1
[M+Na]+ 155.08427 134.2
[M-H]- 131.08777 125.8
[M+NH4]+ 150.12887 149.2
[M+K]+ 171.05821 133.3
[M+H-H2O]+ 115.09231 121.7
[M+HCOO]- 177.09325 150.0
[M+CH3COO]- 191.10890 174.2
[M+Na-2H]- 153.06972 133.2
[M]+ 132.09450 128.3
[M]- 132.09560 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