CID 145858

Anthocyanins

Structural Information

Molecular Formula
C15H11O
SMILES
C1=CC=C(C=C1)C2=[O+]C3=CC=CC=C3C=C2
InChI
InChI=1S/C15H11O/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15/h1-11H/q+1
InChIKey
NWKFECICNXDNOQ-UHFFFAOYSA-N
Compound name
2-phenylchromenylium
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

11883
References

11944
Patents

207.081 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.088276 145.6
[M+Na]+ 230.070218 154.1
[M-H]- 206.073724 154.4
[M+NH4]+ 225.114823 163.7
[M+K]+ 246.044158 145.5
[M+H-H2O]+ 190.078260 140.9
[M+HCOO]- 252.079201 168.4
[M+CH3COO]- 266.094851 179.7
[M+Na-2H]- 228.055666 158.2
[M]+ 207.08045142 145.1
[M]- 207.08154858 145.1
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

patents stripe