CID 41660

Ce 3598

Structural Information

Molecular Formula
C13H8Cl2O5
SMILES
C1=COC(=C1)C(=O)C2=C(C(=C(C=C2)OCC(=O)O)Cl)Cl
InChI
InChI=1S/C13H8Cl2O5/c14-11-7(13(18)9-2-1-5-19-9)3-4-8(12(11)15)20-6-10(16)17/h1-5H,6H2,(H,16,17)
InChIKey
ICGCGLGUMNPSPQ-UHFFFAOYSA-N
Compound name
2-[2,3-dichloro-4-(furan-2-carbonyl)phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

313.97488 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.98216 162.5
[M+Na]+ 336.96410 172.6
[M-H]- 312.96760 169.0
[M+NH4]+ 332.00870 178.3
[M+K]+ 352.93804 168.7
[M+H-H2O]+ 296.97214 158.0
[M+HCOO]- 358.97308 175.4
[M+CH3COO]- 372.98873 198.6
[M+Na-2H]- 334.94955 163.7
[M]+ 313.97433 170.0
[M]- 313.97543 170.0
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