CID 3017619

65678-12-8

Structural Information

Molecular Formula

C₁₁H₁₃ClO₂

SMILES

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

InChI

InChI=1S/C11H13ClO2/c1-11(2,3)8-4-7(6-13)5-9(12)10(8)14/h4-6,14H,1-3H3

InChIKey

VRDIKTAXORPVGA-UHFFFAOYSA-N

Compound name

3-tert-butyl-5-chloro-4-hydroxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 212.06041 Da
Monoisotopic Mass: 3.3
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]+	213.06769	142.9
[M+Na]+	235.04963	153.4
[M-H]-	211.05313	146.2
[M+NH4]+	230.09423	162.9
[M+K]+	251.02357	149.1
[M+H-H2O]+	195.05767	139.3
[M+HCOO]-	257.05861	159.9
[M+CH3COO]-	271.07426	184.9
[M+Na-2H]-	233.03508	147.9
[M]+	212.05986	146.5
[M]-	212.06096	146.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe