CID 53404273

871723-37-4

Structural Information

Molecular Formula
C8H6ClNO
SMILES
C1C2=C(C=CC=C2Cl)C(=O)N1
InChI
InChI=1S/C8H6ClNO/c9-7-3-1-2-5-6(7)4-10-8(5)11/h1-3H,4H2,(H,10,11)
InChIKey
UCZAYZNTAWBJRF-UHFFFAOYSA-N
Compound name
4-chloro-2,3-dihydroisoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

131
Patents

167.0138 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.02108 129.6
[M+Na]+ 190.00302 143.2
[M+NH4]+ 185.04762 139.2
[M+K]+ 205.97696 137.9
[M-H]- 166.00652 131.1
[M+Na-2H]- 187.98847 135.4
[M]+ 167.01325 132.2
[M]- 167.01435 132.2
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

patents stripe