CID 19575264

2-(5-chloro-4-formyl-2-methoxyphenoxy)acetic acid

Structural Information

Molecular Formula
C10H9ClO5
SMILES
COC1=C(C=C(C(=C1)C=O)Cl)OCC(=O)O
InChI
InChI=1S/C10H9ClO5/c1-15-8-2-6(4-12)7(11)3-9(8)16-5-10(13)14/h2-4H,5H2,1H3,(H,13,14)
InChIKey
LNHVLHKQMJQEHS-UHFFFAOYSA-N
Compound name
2-(5-chloro-4-formyl-2-methoxyphenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

244.01385 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.02113 144.4
[M+Na]+ 267.00307 154.5
[M-H]- 243.00657 147.5
[M+NH4]+ 262.04767 162.5
[M+K]+ 282.97701 151.7
[M+H-H2O]+ 227.01111 139.9
[M+HCOO]- 289.01205 163.2
[M+CH3COO]- 303.02770 188.5
[M+Na-2H]- 264.98852 148.3
[M]+ 244.01330 151.3
[M]- 244.01440 151.3
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