CID 1259731

2,5-dioxopyrrolidin-1-yl 3-iodo-4-methoxybenzoate

Structural Information

Molecular Formula
C12H10INO5
SMILES
COC1=C(C=C(C=C1)C(=O)ON2C(=O)CCC2=O)I
InChI
InChI=1S/C12H10INO5/c1-18-9-3-2-7(6-8(9)13)12(17)19-14-10(15)4-5-11(14)16/h2-3,6H,4-5H2,1H3
InChIKey
QAMPCDXKSWCNNT-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) 3-iodo-4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.96036 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.96764 162.2
[M+Na]+ 397.94958 163.9
[M-H]- 373.95308 161.0
[M+NH4]+ 392.99418 174.3
[M+K]+ 413.92352 168.1
[M+H-H2O]+ 357.95762 151.7
[M+HCOO]- 419.95856 179.1
[M+CH3COO]- 433.97421 202.6
[M+Na-2H]- 395.93503 151.3
[M]+ 374.95981 162.3
[M]- 374.96091 162.3
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.