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

175
Patents

253.99013 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.99741 150.3
[M+Na]+ 276.97935 159.4
[M-H]- 252.98285 153.3
[M+NH4]+ 272.02395 168.6
[M+K]+ 292.95329 152.7
[M+H-H2O]+ 236.98739 146.3
[M+HCOO]- 298.98833 163.7
[M+CH3COO]- 313.00398 190.8
[M+Na-2H]- 274.96480 152.8
[M]+ 253.98958 153.6
[M]- 253.99068 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