CID 12411971

2-(4-chloro-3-oxobutyl)-2,3-dihydro-1h-isoindole-1,3-dione

Structural Information

Molecular Formula
C12H10ClNO3
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(=O)CCl
InChI
InChI=1S/C12H10ClNO3/c13-7-8(15)5-6-14-11(16)9-3-1-2-4-10(9)12(14)17/h1-4H,5-7H2
InChIKey
QVJDIXRLHFMBFH-UHFFFAOYSA-N
Compound name
2-(4-chloro-3-oxobutyl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.03493 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.04221 151.5
[M+Na]+ 274.02415 164.0
[M+NH4]+ 269.06875 159.0
[M+K]+ 289.99809 159.3
[M-H]- 250.02765 151.8
[M+Na-2H]- 272.00960 155.2
[M]+ 251.03438 153.4
[M]- 251.03548 153.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.