CID 5199615

5-chloro-2-isopropoxybenzaldehyde

Structural Information

Molecular Formula

C₁₀H₁₁ClO₂

SMILES

CC(C)OC1=C(C=C(C=C1)Cl)C=O

InChI

InChI=1S/C10H11ClO2/c1-7(2)13-10-4-3-9(11)5-8(10)6-12/h3-7H,1-2H3

InChIKey

VILJSXLMSJSWNL-UHFFFAOYSA-N

Compound name

5-chloro-2-propan-2-yloxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 198.04475 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]+	199.05203	138.6
[M+Na]+	221.03397	152.8
[M+NH4]+	216.07857	147.5
[M+K]+	237.00791	145.9
[M-H]-	197.03747	140.8
[M+Na-2H]-	219.01942	145.6
[M]+	198.04420	141.6
[M]-	198.04530	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe