CID 385041

Nsc675962

Structural Information

Molecular Formula
C15H10Cl2N2O
SMILES
CC12C3=CC=CC=C3C(=O)N1C4=C(N2)C(=CC(=C4)Cl)Cl
InChI
InChI=1S/C15H10Cl2N2O/c1-15-10-5-3-2-4-9(10)14(20)19(15)12-7-8(16)6-11(17)13(12)18-15/h2-7,18H,1H3
InChIKey
VRVNISVHUKVGOE-UHFFFAOYSA-N
Compound name
6,8-dichloro-4b-methyl-5H-isoindolo[2,1-a]benzimidazol-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.01703 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.024306 168.6
[M+Na]+ 327.006248 182.8
[M-H]- 303.009754 171.5
[M+NH4]+ 322.050853 190.8
[M+K]+ 342.980188 174.0
[M+H-H2O]+ 287.014290 162.8
[M+HCOO]- 349.015231 177.1
[M+CH3COO]- 363.030881 180.6
[M+Na-2H]- 324.991696 171.0
[M]+ 304.01648142 172.2
[M]- 304.01757858 172.2
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

No patent data available for this compound.