CID 122235585

(2e)-3-(3,5-difluorophenyl)-2-methylprop-2-enal

Structural Information

Molecular Formula
C10H8F2O
SMILES
C/C(=C\C1=CC(=CC(=C1)F)F)/C=O
InChI
InChI=1S/C10H8F2O/c1-7(6-13)2-8-3-9(11)5-10(12)4-8/h2-6H,1H3/b7-2+
InChIKey
DNLJEZZQZREWEO-FARCUNLSSA-N
Compound name
(E)-3-(3,5-difluorophenyl)-2-methylprop-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.05432 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.061596 133.2
[M+Na]+ 205.043538 142.6
[M-H]- 181.047044 134.7
[M+NH4]+ 200.088143 153.5
[M+K]+ 221.017478 139.4
[M+H-H2O]+ 165.051580 126.2
[M+HCOO]- 227.052521 155.0
[M+CH3COO]- 241.068171 182.5
[M+Na-2H]- 203.028986 137.2
[M]+ 182.05377142 131.3
[M]- 182.05486858 131.3
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

No patent data available for this compound.