CID 22748873

57645-26-8

Structural Information

Molecular Formula
C10H9Cl2NO4
SMILES
COC1=CC(=C(C=C1C(=O)O)Cl)NC(=O)CCl
InChI
InChI=1S/C10H9Cl2NO4/c1-17-8-3-7(13-9(14)4-11)6(12)2-5(8)10(15)16/h2-3H,4H2,1H3,(H,13,14)(H,15,16)
InChIKey
DGGCJLVOIUZFLO-UHFFFAOYSA-N
Compound name
5-chloro-4-[(2-chloroacetyl)amino]-2-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

276.99088 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.99816 153.8
[M+Na]+ 299.98010 165.7
[M+NH4]+ 295.02470 160.2
[M+K]+ 315.95404 160.7
[M-H]- 275.98360 153.9
[M+Na-2H]- 297.96555 158.1
[M]+ 276.99033 155.8
[M]- 276.99143 155.8
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