CID 580665

65853-65-8

Structural Information

Molecular Formula
C12H10ClNO5
SMILES
C1CC(=O)N(C1=O)OC(=O)OCC2=CC=CC=C2Cl
InChI
InChI=1S/C12H10ClNO5/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
LVZHXYXNMHCBKC-UHFFFAOYSA-N
Compound name
(2-chlorophenyl)methyl (2,5-dioxopyrrolidin-1-yl) carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

283.02475 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.03203 157.2
[M+Na]+ 306.01397 166.3
[M-H]- 282.01747 163.0
[M+NH4]+ 301.05857 174.3
[M+K]+ 321.98791 163.2
[M+H-H2O]+ 266.02201 150.7
[M+HCOO]- 328.02295 174.9
[M+CH3COO]- 342.03860 193.9
[M+Na-2H]- 303.99942 158.5
[M]+ 283.02420 161.6
[M]- 283.02530 161.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe