CID 9901290

133710-62-0

Structural Information

Molecular Formula
C10H8F3NO5S
SMILES
C1C2C=CC1C3C2C(=O)N(C3=O)OS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C10H8F3NO5S/c11-10(12,13)20(17,18)19-14-8(15)6-4-1-2-5(3-4)7(6)9(14)16/h1-2,4-7H,3H2
InChIKey
YCMDNBGUNDHOOD-UHFFFAOYSA-N
Compound name
(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl) trifluoromethanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2595
Patents

311.00754 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.01482 165.2
[M+Na]+ 333.99676 176.6
[M-H]- 310.00026 165.5
[M+NH4]+ 329.04136 187.5
[M+K]+ 349.97070 174.7
[M+H-H2O]+ 294.00480 162.0
[M+HCOO]- 356.00574 176.1
[M+CH3COO]- 370.02139 199.1
[M+Na-2H]- 331.98221 166.3
[M]+ 311.00699 168.5
[M]- 311.00809 168.5
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

patents stripe