CID 883330

428847-03-4

Structural Information

Molecular Formula

C₁₁H₁₃ClO₃

SMILES

CC(C)OC1=C(C=C(C=C1Cl)C=O)OC

InChI

InChI=1S/C11H13ClO3/c1-7(2)15-11-9(12)4-8(6-13)5-10(11)14-3/h4-7H,1-3H3

InChIKey

YJXAUTANCTWVOT-UHFFFAOYSA-N

Compound name

3-chloro-5-methoxy-4-propan-2-yloxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 228.05533 Da
Monoisotopic Mass: 2.8
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]+	229.06261	144.7
[M+Na]+	251.04455	154.8
[M-H]-	227.04805	149.0
[M+NH4]+	246.08915	164.4
[M+K]+	267.01849	152.0
[M+H-H2O]+	211.05259	140.1
[M+HCOO]-	273.05353	164.0
[M+CH3COO]-	287.06918	190.7
[M+Na-2H]-	249.03000	148.3
[M]+	228.05478	151.6
[M]-	228.05588	151.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe