CID 2762579

126695-58-7

Structural Information

Molecular Formula
C11H4F4N4O4
SMILES
C1CC(=O)N(C1=O)OC(=O)C2=C(C(=C(C(=C2F)F)N=[N+]=[N-])F)F
InChI
InChI=1S/C11H4F4N4O4/c12-6-5(7(13)9(15)10(8(6)14)17-18-16)11(22)23-19-3(20)1-2-4(19)21/h1-2H2
InChIKey
HCTLWQSYGIBOFM-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) 4-azido-2,3,5,6-tetrafluorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

110
Patents

332.01688 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.02416 164.9
[M+Na]+ 355.00610 171.9
[M+NH4]+ 350.05070 167.1
[M+K]+ 370.98004 171.6
[M-H]- 331.00960 162.6
[M+Na-2H]- 352.99155 166.2
[M]+ 332.01633 164.4
[M]- 332.01743 164.4
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