CID 6103419

4,4'-stilbenedicarbonyl chloride

Structural Information

Molecular Formula
C16H10Cl2O2
SMILES
C1=CC(=CC=C1/C=C/C2=CC=C(C=C2)C(=O)Cl)C(=O)Cl
InChI
InChI=1S/C16H10Cl2O2/c17-15(19)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(18)20/h1-10H/b2-1+
InChIKey
ZKXGEOSWQSVEBT-OWOJBTEDSA-N
Compound name
4-[(E)-2-(4-carbonochloridoylphenyl)ethenyl]benzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

304.0058 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.01308 163.4
[M+Na]+ 326.99502 172.6
[M-H]- 302.99852 169.5
[M+NH4]+ 322.03962 179.6
[M+K]+ 342.96896 165.4
[M+H-H2O]+ 287.00306 157.7
[M+HCOO]- 349.00400 176.6
[M+CH3COO]- 363.01965 201.0
[M+Na-2H]- 324.98047 165.5
[M]+ 304.00525 167.1
[M]- 304.00635 167.1
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