CID 882806

428836-03-7

Structural Information

Molecular Formula
C11H11ClO5
SMILES
CCOC1=C(C(=CC(=C1)C=O)Cl)OCC(=O)O
InChI
InChI=1S/C11H11ClO5/c1-2-16-9-4-7(5-13)3-8(12)11(9)17-6-10(14)15/h3-5H,2,6H2,1H3,(H,14,15)
InChIKey
XHFZCETYAOULCG-UHFFFAOYSA-N
Compound name
2-(2-chloro-6-ethoxy-4-formylphenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

258.0295 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.03678 149.1
[M+Na]+ 281.01872 158.8
[M-H]- 257.02222 152.1
[M+NH4]+ 276.06332 166.6
[M+K]+ 296.99266 155.7
[M+H-H2O]+ 241.02676 144.4
[M+HCOO]- 303.02770 167.6
[M+CH3COO]- 317.04335 191.5
[M+Na-2H]- 279.00417 152.4
[M]+ 258.02895 156.4
[M]- 258.03005 156.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe