CID 5706297

Brn 5446064

Structural Information

Molecular Formula
C18H12Cl2O4
SMILES
C1=CC(=CC=C1/C(=C/C(=O)C(=O)/C=C(\O)/C2=CC=C(C=C2)Cl)/O)Cl
InChI
InChI=1S/C18H12Cl2O4/c19-13-5-1-11(2-6-13)15(21)9-17(23)18(24)10-16(22)12-3-7-14(20)8-4-12/h1-10,21-22H/b15-9-,16-10-
InChIKey
ZBFJITNDXCLOMV-VULZFCBJSA-N
Compound name
(1Z,5Z)-1,6-bis(4-chlorophenyl)-1,6-dihydroxyhexa-1,5-diene-3,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

362.01126 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.01854 174.8
[M+Na]+ 385.00048 181.9
[M-H]- 361.00398 178.4
[M+NH4]+ 380.04508 187.1
[M+K]+ 400.97442 174.6
[M+H-H2O]+ 345.00852 169.8
[M+HCOO]- 407.00946 183.4
[M+CH3COO]- 421.02511 206.7
[M+Na-2H]- 382.98593 173.2
[M]+ 362.01071 176.9
[M]- 362.01181 176.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.