CID 260363

2-[(3,4-dichlorophenyl)formamido]acetic acid

Structural Information

Molecular Formula
C9H7Cl2NO3
SMILES
C1=CC(=C(C=C1C(=O)NCC(=O)O)Cl)Cl
InChI
InChI=1S/C9H7Cl2NO3/c10-6-2-1-5(3-7(6)11)9(15)12-4-8(13)14/h1-3H,4H2,(H,12,15)(H,13,14)
InChIKey
TVWQKCYNJSKYOP-UHFFFAOYSA-N
Compound name
2-[(3,4-dichlorobenzoyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

26
Patents

246.9803 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.98758 145.9
[M+Na]+ 269.96952 155.1
[M-H]- 245.97302 148.3
[M+NH4]+ 265.01412 163.8
[M+K]+ 285.94346 150.2
[M+H-H2O]+ 229.97756 142.4
[M+HCOO]- 291.97850 159.7
[M+CH3COO]- 305.99415 189.9
[M+Na-2H]- 267.95497 149.1
[M]+ 246.97975 148.9
[M]- 246.98085 148.9
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