CID 42465

6-chloro-2h-chromene-3-carbaldehyde

Structural Information

Molecular Formula

C₁₀H₇ClO₂

SMILES

C1C(=CC2=C(O1)C=CC(=C2)Cl)C=O

InChI

InChI=1S/C10H7ClO2/c11-9-1-2-10-8(4-9)3-7(5-12)6-13-10/h1-5H,6H2

InChIKey

VCRXKYYFRXENHC-UHFFFAOYSA-N

Compound name

6-chloro-2H-chromene-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 194.01346 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	195.02074	134.7
[M+Na]+	217.00268	150.7
[M+NH4]+	212.04728	144.9
[M+K]+	232.97662	142.8
[M-H]-	193.00618	139.4
[M+Na-2H]-	214.98813	142.2
[M]+	194.01291	138.8
[M]-	194.01401	138.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe