CID 42465

57544-34-0

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]+	195.020736	134.9
[M+Na]+	217.002678	145.4
[M-H]-	193.006184	140.5
[M+NH4]+	212.047283	155.4
[M+K]+	232.976618	142.3
[M+H-H2O]+	177.010720	130.2
[M+HCOO]-	239.011661	152.8
[M+CH3COO]-	253.027311	181.4
[M+Na-2H]-	214.988126	144.0
[M]+	194.01291142	138.2
[M]-	194.01400858	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe