CID 4380508

103754-42-3

Structural Information

Molecular Formula

C₁₀H₈Cl₂O₂

SMILES

CC(=CC1=C(C=C(C=C1)Cl)Cl)C(=O)O

InChI

InChI=1S/C10H8Cl2O2/c1-6(10(13)14)4-7-2-3-8(11)5-9(7)12/h2-5H,1H3,(H,13,14)

InChIKey

RRFQDBWWFNMLQO-UHFFFAOYSA-N

Compound name

3-(2,4-dichlorophenyl)-2-methylprop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 229.99013 Da
Monoisotopic Mass: 2.7
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]+	230.99741	142.4
[M+Na]+	252.97935	152.1
[M-H]-	228.98285	144.6
[M+NH4]+	248.02395	161.4
[M+K]+	268.95329	146.4
[M+H-H2O]+	212.98739	139.3
[M+HCOO]-	274.98833	154.6
[M+CH3COO]-	289.00398	185.9
[M+Na-2H]-	250.96480	144.8
[M]+	229.98958	144.9
[M]-	229.99068	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe