CID 38951

41727-45-1

Structural Information

Molecular Formula

C₁₀H₈Cl₂O₃

SMILES

C=CCOC1=C(C=C(C=C1Cl)C(=O)O)Cl

InChI

InChI=1S/C10H8Cl2O3/c1-2-3-15-9-7(11)4-6(10(13)14)5-8(9)12/h2,4-5H,1,3H2,(H,13,14)

InChIKey

RXLVKVUKUULKAK-UHFFFAOYSA-N

Compound name

3,5-dichloro-4-prop-2-enoxybenzoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 46
Patents: 245.98505 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]+	246.99233	146.5
[M+Na]+	268.97427	160.4
[M+NH4]+	264.01887	154.1
[M+K]+	284.94821	153.7
[M-H]-	244.97777	147.1
[M+Na-2H]-	266.95972	152.0
[M]+	245.98450	149.1
[M]-	245.98560	149.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe