CID 115171

Chlorphthalim

Structural Information

Molecular Formula
C14H12ClNO2
SMILES
C1CCC2=C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C14H12ClNO2/c15-9-5-7-10(8-6-9)16-13(17)11-3-1-2-4-12(11)14(16)18/h5-8H,1-4H2
InChIKey
MJQBFSWPMMHVSM-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2776
Patents

261.05566 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.06294 157.2
[M+Na]+ 284.04488 167.0
[M-H]- 260.04838 163.5
[M+NH4]+ 279.08948 176.5
[M+K]+ 300.01882 161.2
[M+H-H2O]+ 244.05292 150.5
[M+HCOO]- 306.05386 172.6
[M+CH3COO]- 320.06951 169.7
[M+Na-2H]- 282.03033 159.1
[M]+ 261.05511 157.1
[M]- 261.05621 157.1
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