CID 3004941

Nsc664741

Structural Information

Molecular Formula
C23H13ClO2
SMILES
C1=CC=C2C(=C1)C=C3C=CC=CC3=C2/C(=C\4/C5=CC=CC=C5C(=O)O4)/Cl
InChI
InChI=1S/C23H13ClO2/c24-21(22-18-11-5-6-12-19(18)23(25)26-22)20-16-9-3-1-7-14(16)13-15-8-2-4-10-17(15)20/h1-13H/b22-21+
InChIKey
ATVGZQGJWVXZJF-QURGRASLSA-N
Compound name
(3E)-3-[anthracen-9-yl(chloro)methylidene]-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.0604 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.06768 183.3
[M+Na]+ 379.04962 194.6
[M-H]- 355.05312 193.7
[M+NH4]+ 374.09422 200.2
[M+K]+ 395.02356 187.1
[M+H-H2O]+ 339.05766 175.6
[M+HCOO]- 401.05860 198.5
[M+CH3COO]- 415.07425 195.1
[M+Na-2H]- 377.03507 187.7
[M]+ 356.05985 187.5
[M]- 356.06095 187.5
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.