CID 594931

42152-99-8

Structural Information

Molecular Formula
C12H12ClNO2
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCl
InChI
InChI=1S/C12H12ClNO2/c13-7-3-4-8-14-11(15)9-5-1-2-6-10(9)12(14)16/h1-2,5-6H,3-4,7-8H2
InChIKey
WUXVKQNZTXLHLL-UHFFFAOYSA-N
Compound name
2-(4-chlorobutyl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

237.05565 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.06293 150.8
[M+Na]+ 260.04487 161.3
[M-H]- 236.04837 154.0
[M+NH4]+ 255.08947 171.4
[M+K]+ 276.01881 156.1
[M+H-H2O]+ 220.05291 145.2
[M+HCOO]- 282.05385 168.4
[M+CH3COO]- 296.06950 190.3
[M+Na-2H]- 258.03032 154.4
[M]+ 237.05510 154.9
[M]- 237.05620 154.9
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.