CID 21782465

155863-37-9

Structural Information

Molecular Formula
C7H6F3NO5S
SMILES
C1=CC(=O)N(C1=O)CCOS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C7H6F3NO5S/c8-7(9,10)17(14,15)16-4-3-11-5(12)1-2-6(11)13/h1-2H,3-4H2
InChIKey
JIUYDXPCRYKTOJ-UHFFFAOYSA-N
Compound name
2-(2,5-dioxopyrrol-1-yl)ethyl trifluoromethanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.99188 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.99916 149.8
[M+Na]+ 295.98110 160.0
[M-H]- 271.98460 148.9
[M+NH4]+ 291.02570 166.9
[M+K]+ 311.95504 157.9
[M+H-H2O]+ 255.98914 142.4
[M+HCOO]- 317.99008 163.3
[M+CH3COO]- 332.00573 189.6
[M+Na-2H]- 293.96655 152.0
[M]+ 272.99133 151.5
[M]- 272.99243 151.5
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.