CID 3044611

57543-48-3

Structural Information

Molecular Formula
C16H11ClO2
SMILES
C1=CC=C(C=C1)C2C(=CC3=C(O2)C=CC(=C3)Cl)C=O
InChI
InChI=1S/C16H11ClO2/c17-14-6-7-15-12(9-14)8-13(10-18)16(19-15)11-4-2-1-3-5-11/h1-10,16H
InChIKey
SFVYDUOUYMEYAM-UHFFFAOYSA-N
Compound name
6-chloro-2-phenyl-2H-chromene-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.04477 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.05205 157.9
[M+Na]+ 293.03399 168.0
[M-H]- 269.03749 166.3
[M+NH4]+ 288.07859 174.9
[M+K]+ 309.00793 163.1
[M+H-H2O]+ 253.04203 150.9
[M+HCOO]- 315.04297 175.0
[M+CH3COO]- 329.05862 171.0
[M+Na-2H]- 291.01944 165.0
[M]+ 270.04422 161.1
[M]- 270.04532 161.1
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

No patent data available for this compound.