CID 712314

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

Structural Information

Molecular Formula
C10H5Cl2NO4
SMILES
C1=C2C(=CC(=C1Cl)Cl)C(=O)N(C2=O)CC(=O)O
InChI
InChI=1S/C10H5Cl2NO4/c11-6-1-4-5(2-7(6)12)10(17)13(9(4)16)3-8(14)15/h1-2H,3H2,(H,14,15)
InChIKey
LHYSAUZLKMKURN-UHFFFAOYSA-N
Compound name
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

7
Patents

272.95956 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.96684 150.7
[M+Na]+ 295.94878 163.4
[M-H]- 271.95228 153.2
[M+NH4]+ 290.99338 169.8
[M+K]+ 311.92272 157.8
[M+H-H2O]+ 255.95682 147.2
[M+HCOO]- 317.95776 162.0
[M+CH3COO]- 331.97341 193.2
[M+Na-2H]- 293.93423 152.1
[M]+ 272.95901 155.7
[M]- 272.96011 155.7
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