CID 3044613

57543-52-9

Structural Information

Molecular Formula
C17H14O3
SMILES
COC1=CC2=C(C=C1)OC(C(=C2)C=O)C3=CC=CC=C3
InChI
InChI=1S/C17H14O3/c1-19-15-7-8-16-13(10-15)9-14(11-18)17(20-16)12-5-3-2-4-6-12/h2-11,17H,1H3
InChIKey
ZXNCBATUUHHSTF-UHFFFAOYSA-N
Compound name
6-methoxy-2-phenyl-2H-chromene-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.0943 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.10158 158.6
[M+Na]+ 289.08352 167.3
[M-H]- 265.08702 167.1
[M+NH4]+ 284.12812 174.8
[M+K]+ 305.05746 164.5
[M+H-H2O]+ 249.09156 150.6
[M+HCOO]- 311.09250 180.2
[M+CH3COO]- 325.10815 171.5
[M+Na-2H]- 287.06897 165.8
[M]+ 266.09375 161.3
[M]- 266.09485 161.3
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.