CID 369147

Nsc640733

Structural Information

Molecular Formula
C19H13ClO2
SMILES
CC1=C(C=CC(=C1)Cl)C2C3=C(C4=CC=CC=C4C=C3)C(=O)O2
InChI
InChI=1S/C19H13ClO2/c1-11-10-13(20)7-9-14(11)18-16-8-6-12-4-2-3-5-15(12)17(16)19(21)22-18/h2-10,18H,1H3
InChIKey
RLYURHIHTZRGEX-UHFFFAOYSA-N
Compound name
3-(4-chloro-2-methylphenyl)-3H-benzo[g][2]benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.0604 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.06768 170.4
[M+Na]+ 331.04962 182.4
[M-H]- 307.05312 180.4
[M+NH4]+ 326.09422 189.2
[M+K]+ 347.02356 176.3
[M+H-H2O]+ 291.05766 164.1
[M+HCOO]- 353.05860 187.0
[M+CH3COO]- 367.07425 183.6
[M+Na-2H]- 329.03507 174.3
[M]+ 308.05985 175.1
[M]- 308.06095 175.1
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

No patent data available for this compound.