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 152.1
[M+Na]+ 299.98010 161.6
[M-H]- 275.98360 154.7
[M+NH4]+ 295.02470 169.1
[M+K]+ 315.95404 157.2
[M+H-H2O]+ 259.98814 148.6
[M+HCOO]- 321.98908 165.8
[M+CH3COO]- 336.00473 196.2
[M+Na-2H]- 297.96555 154.3
[M]+ 276.99033 157.3
[M]- 276.99143 157.3
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