CID 3022860

93904-64-4

Structural Information

Molecular Formula

C₁₀H₁₁ClO₂

SMILES

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

InChI

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

InChIKey

MJPDRZNCPYMJSA-UHFFFAOYSA-N

Compound name

3-chloro-4-hydroxy-5-propan-2-ylbenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
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]+	199.052026	137.7
[M+Na]+	221.033968	148.0
[M-H]-	197.037474	140.9
[M+NH4]+	216.078573	158.1
[M+K]+	237.007908	143.9
[M+H-H2O]+	181.042010	133.9
[M+HCOO]-	243.042951	155.7
[M+CH3COO]-	257.058601	183.0
[M+Na-2H]-	219.019416	141.4
[M]+	198.04420142	140.9
[M]-	198.04529858	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe