CID 5905419

Nsc683835

Structural Information

Molecular Formula
C20H16Cl2O2
SMILES
C1C/C(=C/C2=CC=C(C=C2)O)/C(=O)/C(=C\C3=CC(=C(C=C3)Cl)Cl)/C1
InChI
InChI=1S/C20H16Cl2O2/c21-18-9-6-14(12-19(18)22)11-16-3-1-2-15(20(16)24)10-13-4-7-17(23)8-5-13/h4-12,23H,1-3H2/b15-10-,16-11-
InChIKey
IMLOAMSUXFEQKT-XCMCHEKJSA-N
Compound name
(2Z,6Z)-2-[(3,4-dichlorophenyl)methylidene]-6-[(4-hydroxyphenyl)methylidene]cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.05273 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.06001 182.2
[M+Na]+ 381.04195 190.8
[M-H]- 357.04545 189.5
[M+NH4]+ 376.08655 195.8
[M+K]+ 397.01589 181.4
[M+H-H2O]+ 341.04999 175.3
[M+HCOO]- 403.05093 191.4
[M+CH3COO]- 417.06658 192.0
[M+Na-2H]- 379.02740 181.1
[M]+ 358.05218 181.0
[M]- 358.05328 181.0
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

No patent data available for this compound.