CID 5989690

35288-49-4

Structural Information

Molecular Formula
C12H8Cl2O2
SMILES
C1=CC(=CC=C1/C=C/C(=O)Cl)/C=C/C(=O)Cl
InChI
InChI=1S/C12H8Cl2O2/c13-11(15)7-5-9-1-2-10(4-3-9)6-8-12(14)16/h1-8H/b7-5+,8-6+
InChIKey
WQZLRZFBCIUDFL-KQQUZDAGSA-N
Compound name
(E)-3-[4-[(E)-3-chloro-3-oxoprop-1-enyl]phenyl]prop-2-enoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

133
Patents

253.99013 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.997406 150.3
[M+Na]+ 276.979348 159.4
[M-H]- 252.982854 153.3
[M+NH4]+ 272.023953 168.6
[M+K]+ 292.953288 152.7
[M+H-H2O]+ 236.987390 146.3
[M+HCOO]- 298.988331 163.7
[M+CH3COO]- 313.003981 190.8
[M+Na-2H]- 274.964796 152.8
[M]+ 253.98958142 153.6
[M]- 253.99067858 153.6
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