CID 3516353

2',5'-dichloroglutaranilic acid

Structural Information

Molecular Formula
C11H11Cl2NO3
SMILES
C1=CC(=C(C=C1Cl)NC(=O)CCCC(=O)O)Cl
InChI
InChI=1S/C11H11Cl2NO3/c12-7-4-5-8(13)9(6-7)14-10(15)2-1-3-11(16)17/h4-6H,1-3H2,(H,14,15)(H,16,17)
InChIKey
KIPNDJFJDZZAPU-UHFFFAOYSA-N
Compound name
5-(2,5-dichloroanilino)-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

275.0116 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.01888 155.2
[M+Na]+ 298.00082 163.5
[M-H]- 274.00432 157.2
[M+NH4]+ 293.04542 172.0
[M+K]+ 313.97476 158.1
[M+H-H2O]+ 258.00886 151.3
[M+HCOO]- 320.00980 168.3
[M+CH3COO]- 334.02545 195.8
[M+Na-2H]- 295.98627 157.3
[M]+ 275.01105 158.9
[M]- 275.01215 158.9
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