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]+ 183.06160 133.2
[M+Na]+ 205.04354 142.6
[M-H]- 181.04704 134.7
[M+NH4]+ 200.08814 153.5
[M+K]+ 221.01748 139.4
[M+H-H2O]+ 165.05158 126.2
[M+HCOO]- 227.05252 155.0
[M+CH3COO]- 241.06817 182.5
[M+Na-2H]- 203.02899 137.2
[M]+ 182.05377 131.3
[M]- 182.05487 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.