CID 5989690

1,4-phenylenediacryloyl chloride

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

193
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 151.6
[M+Na]+ 276.97935 165.3
[M+NH4]+ 272.02395 159.2
[M+K]+ 292.95329 157.5
[M-H]- 252.98285 152.4
[M+Na-2H]- 274.96480 157.5
[M]+ 253.98958 154.2
[M]- 253.99068 154.2
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