CID 49817780

112704-51-5

Structural Information

Molecular Formula
C15H10ClFO
SMILES
C1=CC=C(C(=C1)/C=C(/C=O)\C2=CC=C(C=C2)F)Cl
InChI
InChI=1S/C15H10ClFO/c16-15-4-2-1-3-12(15)9-13(10-18)11-5-7-14(17)8-6-11/h1-10H/b13-9-
InChIKey
MTSHNPMLJVYGFR-LCYFTJDESA-N
Compound name
(E)-3-(2-chlorophenyl)-2-(4-fluorophenyl)prop-2-enal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

34
Patents

260.04044 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.04772 154.1
[M+Na]+ 283.02966 163.5
[M-H]- 259.03316 159.6
[M+NH4]+ 278.07426 171.7
[M+K]+ 299.00360 156.8
[M+H-H2O]+ 243.03770 146.9
[M+HCOO]- 305.03864 172.2
[M+CH3COO]- 319.05429 194.3
[M+Na-2H]- 281.01511 158.0
[M]+ 260.03989 154.9
[M]- 260.04099 154.9
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