CID 3770721

Dtxsid20886500

Structural Information

Molecular Formula
C18H15O2
SMILES
COC1=CC2=C(C=C1)C3=[O+]C4=CC=CC=C4C=C3CC2
InChI
InChI=1S/C18H15O2/c1-19-15-8-9-16-12(11-15)6-7-14-10-13-4-2-3-5-17(13)20-18(14)16/h2-5,8-11H,6-7H2,1H3/q+1
InChIKey
WHKJYMALWSNQJC-UHFFFAOYSA-N
Compound name
3-methoxy-5,6-dihydrobenzo[c]xanthen-12-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.1072 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.11448 159.3
[M+Na]+ 286.09642 168.1
[M-H]- 262.09992 166.5
[M+NH4]+ 281.14102 177.3
[M+K]+ 302.07036 159.0
[M+H-H2O]+ 246.10446 153.8
[M+HCOO]- 308.10540 177.6
[M+CH3COO]- 322.12105 193.0
[M+Na-2H]- 284.08187 171.2
[M]+ 263.10665 160.2
[M]- 263.10775 160.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.