CID 3060766

Brn 1540151

Structural Information

Molecular Formula
C12H12Cl2N2O2
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)N(CCCl)CCCl
InChI
InChI=1S/C12H12Cl2N2O2/c13-5-7-15(8-6-14)16-11(17)9-3-1-2-4-10(9)12(16)18/h1-4H,5-8H2
InChIKey
IYWZUTGBIOLJQO-UHFFFAOYSA-N
Compound name
2-[bis(2-chloroethyl)amino]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.0276 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.03488 162.0
[M+Na]+ 309.01682 172.0
[M-H]- 285.02032 165.9
[M+NH4]+ 304.06142 181.2
[M+K]+ 324.99076 166.7
[M+H-H2O]+ 269.02486 156.3
[M+HCOO]- 331.02580 175.9
[M+CH3COO]- 345.04145 202.9
[M+Na-2H]- 307.00227 164.4
[M]+ 286.02705 167.7
[M]- 286.02815 167.7
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.