CID 69018092

2639-79-4

Structural Information

Molecular Formula
C8H6Cl2O4
SMILES
C1=C(C(=CC(=C1OCC(=O)O)Cl)Cl)O
InChI
InChI=1S/C8H6Cl2O4/c9-4-1-5(10)7(2-6(4)11)14-3-8(12)13/h1-2,11H,3H2,(H,12,13)
InChIKey
VHLPSHCAJUUTFL-UHFFFAOYSA-N
Compound name
2-(2,4-dichloro-5-hydroxyphenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

4
Patents

235.96431 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.97159 139.0
[M+Na]+ 258.95353 149.7
[M-H]- 234.95703 140.5
[M+NH4]+ 253.99813 157.3
[M+K]+ 274.92747 145.1
[M+H-H2O]+ 218.96157 136.3
[M+HCOO]- 280.96251 151.6
[M+CH3COO]- 294.97816 183.5
[M+Na-2H]- 256.93898 142.8
[M]+ 235.96376 143.6
[M]- 235.96486 143.6
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