CID 86966

17137-11-0

Structural Information

Molecular Formula
C11H8ClNO3
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)Cl
InChI
InChI=1S/C11H8ClNO3/c12-9(14)5-6-13-10(15)7-3-1-2-4-8(7)11(13)16/h1-4H,5-6H2
InChIKey
ZEQHPUCQCWTFRP-UHFFFAOYSA-N
Compound name
3-(1,3-dioxoisoindol-2-yl)propanoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

237.01927 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.02655 147.0
[M+Na]+ 260.00849 159.7
[M+NH4]+ 255.05309 154.6
[M+K]+ 275.98243 155.2
[M-H]- 236.01199 147.3
[M+Na-2H]- 257.99394 151.0
[M]+ 237.01872 148.9
[M]- 237.01982 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.