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

44
Patents

245.98505 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.992326 144.6
[M+Na]+ 268.974268 155.3
[M-H]- 244.977774 147.1
[M+NH4]+ 264.018873 163.2
[M+K]+ 284.948208 149.8
[M+H-H2O]+ 228.982310 141.4
[M+HCOO]- 290.983251 158.0
[M+CH3COO]- 304.998901 188.9
[M+Na-2H]- 266.959716 147.6
[M]+ 245.98450142 149.6
[M]- 245.98559858 149.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe