CID 2735735

58290-51-0

Structural Information

Molecular Formula
C12H12ClNO3
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CCOCCCl
InChI
InChI=1S/C12H12ClNO3/c13-5-7-17-8-6-14-11(15)9-3-1-2-4-10(9)12(14)16/h1-4H,5-8H2
InChIKey
DCWWMFNXTOGDNJ-UHFFFAOYSA-N
Compound name
2-[2-(2-chloroethoxy)ethyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

253.05057 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.05785 152.5
[M+Na]+ 276.03979 165.2
[M+NH4]+ 271.08439 160.3
[M+K]+ 292.01373 159.8
[M-H]- 252.04329 153.1
[M+Na-2H]- 274.02524 156.6
[M]+ 253.05002 154.6
[M]- 253.05112 154.6
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