CID 3060765

Brn 1477677

Structural Information

Molecular Formula
C12H12Br2N2O2
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)N(CCBr)CCBr
InChI
InChI=1S/C12H12Br2N2O2/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
WWBHQWLVFFJVTJ-UHFFFAOYSA-N
Compound name
2-[bis(2-bromoethyl)amino]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.92654 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.93382 160.0
[M+Na]+ 396.91576 170.5
[M-H]- 372.91926 167.2
[M+NH4]+ 391.96036 178.2
[M+K]+ 412.88970 155.4
[M+H-H2O]+ 356.92380 166.7
[M+HCOO]- 418.92474 175.8
[M+CH3COO]- 432.94039 217.6
[M+Na-2H]- 394.90121 164.7
[M]+ 373.92599 195.7
[M]- 373.92709 195.7
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.