CID 3355361

2-(5,6-dichloro-1,3-dioxo-2,3-dihydro-1h-isoindol-2-yl)propanoic acid

Structural Information

Molecular Formula
C11H7Cl2NO4
SMILES
CC(C(=O)O)N1C(=O)C2=CC(=C(C=C2C1=O)Cl)Cl
InChI
InChI=1S/C11H7Cl2NO4/c1-4(11(17)18)14-9(15)5-2-7(12)8(13)3-6(5)10(14)16/h2-4H,1H3,(H,17,18)
InChIKey
IEODYFJEEGJUQB-UHFFFAOYSA-N
Compound name
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.97522 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.98250 154.4
[M+Na]+ 309.96444 166.4
[M-H]- 285.96794 156.9
[M+NH4]+ 305.00904 172.9
[M+K]+ 325.93838 161.1
[M+H-H2O]+ 269.97248 151.0
[M+HCOO]- 331.97342 164.5
[M+CH3COO]- 345.98907 197.1
[M+Na-2H]- 307.94989 154.3
[M]+ 286.97467 159.3
[M]- 286.97577 159.3
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

No patent data available for this compound.