CID 101673656

2-(4-methoxyphenyl)naphthalic anhydride

Structural Information

Molecular Formula
C19H12O4
SMILES
COC1=CC=C(C=C1)C2=C3C4=C(C=CC=C4C(=O)OC3=O)C=C2
InChI
InChI=1S/C19H12O4/c1-22-13-8-5-11(6-9-13)14-10-7-12-3-2-4-15-16(12)17(14)19(21)23-18(15)20/h2-10H,1H3
InChIKey
QJNMPLSUKPHYQK-UHFFFAOYSA-N
Compound name
6-(4-methoxyphenyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

304.07355 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.08083 167.0
[M+Na]+ 327.06277 176.8
[M-H]- 303.06627 176.1
[M+NH4]+ 322.10737 182.9
[M+K]+ 343.03671 173.6
[M+H-H2O]+ 287.07081 158.3
[M+HCOO]- 349.07175 186.3
[M+CH3COO]- 363.08740 179.5
[M+Na-2H]- 325.04822 174.1
[M]+ 304.07300 170.9
[M]- 304.07410 170.9
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

patents stripe