CID 223787

2-(3-chloro-2-oxopropyl)-2,3-dihydro-1h-isoindole-1,3-dione

Structural Information

Molecular Formula
C11H8ClNO3
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)CCl
InChI
InChI=1S/C11H8ClNO3/c12-5-7(14)6-13-10(15)8-3-1-2-4-9(8)11(13)16/h1-4H,5-6H2
InChIKey
GUEXBHONHJVHTM-UHFFFAOYSA-N
Compound name
2-(3-chloro-2-oxopropyl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

237.01927 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.026546 147.4
[M+Na]+ 260.008488 158.2
[M-H]- 236.011994 151.0
[M+NH4]+ 255.053093 167.8
[M+K]+ 275.982428 153.7
[M+H-H2O]+ 220.016530 142.2
[M+HCOO]- 282.017471 164.8
[M+CH3COO]- 296.033121 189.4
[M+Na-2H]- 257.993936 150.6
[M]+ 237.01872142 151.3
[M]- 237.01981858 151.3
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