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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.99233 144.6
[M+Na]+ 268.97427 155.3
[M-H]- 244.97777 147.1
[M+NH4]+ 264.01887 163.2
[M+K]+ 284.94821 149.8
[M+H-H2O]+ 228.98231 141.4
[M+HCOO]- 290.98325 158.0
[M+CH3COO]- 304.99890 188.9
[M+Na-2H]- 266.95972 147.6
[M]+ 245.98450 149.6
[M]- 245.98560 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