CID 2762579

N-succinimidyl 4-azido-2,3,5,6-tetrafluorobenzoate

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

151
Patents

332.01688 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.024156 162.4
[M+Na]+ 355.006098 172.8
[M-H]- 331.009604 166.6
[M+NH4]+ 350.050703 176.9
[M+K]+ 370.980038 164.8
[M+H-H2O]+ 315.014140 155.8
[M+HCOO]- 377.015081 186.9
[M+CH3COO]- 391.030731 211.0
[M+Na-2H]- 352.991546 164.5
[M]+ 332.01633142 157.5
[M]- 332.01742858 157.5
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