CID 598169

N-(2-bromobenzyloxycarbonyloxy)succinimide

Structural Information

Molecular Formula
C12H10BrNO5
SMILES
C1CC(=O)N(C1=O)OC(=O)OCC2=CC=CC=C2Br
InChI
InChI=1S/C12H10BrNO5/c13-9-4-2-1-3-8(9)7-18-12(17)19-14-10(15)5-6-11(14)16/h1-4H,5-7H2
InChIKey
SZDNRTVADOCWKU-UHFFFAOYSA-N
Compound name
(2-bromophenyl)methyl (2,5-dioxopyrrolidin-1-yl) carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

326.97424 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.98152 161.2
[M+Na]+ 349.96346 172.3
[M-H]- 325.96696 169.4
[M+NH4]+ 345.00806 179.3
[M+K]+ 365.93740 162.5
[M+H-H2O]+ 309.97150 160.2
[M+HCOO]- 371.97244 181.0
[M+CH3COO]- 385.98809 199.5
[M+Na-2H]- 347.94891 164.1
[M]+ 326.97369 181.9
[M]- 326.97479 181.9
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