CID 6474245

Nsc689163

Structural Information

Molecular Formula
C14H10Cl2O
SMILES
C1=CC(=C(/C=C/C2=C(C=C(C=C2)Cl)Cl)O)C=C1
InChI
InChI=1S/C14H10Cl2O/c15-12-7-5-10(13(16)9-12)6-8-14(17)11-3-1-2-4-11/h1-9,17H/b8-6+
InChIKey
RBEBPRZZPQUQJX-SOFGYWHQSA-N
Compound name
(E)-1-cyclopenta-2,4-dien-1-ylidene-3-(2,4-dichlorophenyl)prop-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.01086 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.01814 158.4
[M+Na]+ 287.00008 168.2
[M-H]- 263.00358 163.3
[M+NH4]+ 282.04468 177.6
[M+K]+ 302.97402 159.9
[M+H-H2O]+ 247.00812 153.6
[M+HCOO]- 309.00906 171.9
[M+CH3COO]- 323.02471 189.9
[M+Na-2H]- 284.98553 159.4
[M]+ 264.01031 159.7
[M]- 264.01141 159.7
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.