CID 313559

Nsc228076

Structural Information

Molecular Formula
C10H7BrN2O2
SMILES
C1C(N1N2C(=O)C3=CC=CC=C3C2=O)Br
InChI
InChI=1S/C10H7BrN2O2/c11-8-5-12(8)13-9(14)6-3-1-2-4-7(6)10(13)15/h1-4,8H,5H2
InChIKey
PKHQWJUENVEERP-UHFFFAOYSA-N
Compound name
2-(2-bromoaziridin-1-yl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.9691 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.97638 155.7
[M+Na]+ 288.95832 171.8
[M-H]- 264.96182 164.6
[M+NH4]+ 284.00292 172.1
[M+K]+ 304.93226 158.9
[M+H-H2O]+ 248.96636 155.0
[M+HCOO]- 310.96730 175.1
[M+CH3COO]- 324.98295 170.4
[M+Na-2H]- 286.94377 160.7
[M]+ 265.96855 176.6
[M]- 265.96965 176.6
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.