CID 3696524

2-(4-chloro-2-formyl-6-methoxyphenoxy)propanoic acid

Structural Information

Molecular Formula
C11H11ClO5
SMILES
CC(C(=O)O)OC1=C(C=C(C=C1OC)Cl)C=O
InChI
InChI=1S/C11H11ClO5/c1-6(11(14)15)17-10-7(5-13)3-8(12)4-9(10)16-2/h3-6H,1-2H3,(H,14,15)
InChIKey
OURPQCNJIAYKOE-UHFFFAOYSA-N
Compound name
2-(4-chloro-2-formyl-6-methoxyphenoxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

258.0295 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.03678 148.6
[M+Na]+ 281.01872 158.1
[M-H]- 257.02222 151.7
[M+NH4]+ 276.06332 166.1
[M+K]+ 296.99266 155.5
[M+H-H2O]+ 241.02676 144.1
[M+HCOO]- 303.02770 166.2
[M+CH3COO]- 317.04335 192.4
[M+Na-2H]- 279.00417 150.8
[M]+ 258.02895 155.3
[M]- 258.03005 155.3
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