CID 54564000

5,5-difluorohexanal

Structural Information

Molecular Formula
C6H10F2O
SMILES
CC(CCCC=O)(F)F
InChI
InChI=1S/C6H10F2O/c1-6(7,8)4-2-3-5-9/h5H,2-4H2,1H3
InChIKey
OERSBMHYQHOUJL-UHFFFAOYSA-N
Compound name
5,5-difluorohexanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

136.06998 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.07726 124.9
[M+Na]+ 159.05920 133.0
[M-H]- 135.06270 122.8
[M+NH4]+ 154.10380 146.9
[M+K]+ 175.03314 132.3
[M+H-H2O]+ 119.06724 119.4
[M+HCOO]- 181.06818 145.6
[M+CH3COO]- 195.08383 174.1
[M+Na-2H]- 157.04465 131.6
[M]+ 136.06943 124.1
[M]- 136.07053 124.1
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

No patent data available for this compound.