CID 3009203

1,1,1-trifluoro-n-phenoxathiin-2-yl-methanesulfonamide

Structural Information

Molecular Formula
C13H8F3NO3S2
SMILES
C1=CC=C2C(=C1)OC3=C(S2)C=C(C=C3)NS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C13H8F3NO3S2/c14-13(15,16)22(18,19)17-8-5-6-10-12(7-8)21-11-4-2-1-3-9(11)20-10/h1-7,17H
InChIKey
ZCNVRIMQEIEYQZ-UHFFFAOYSA-N
Compound name
1,1,1-trifluoro-N-phenoxathiin-2-ylmethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.98978 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.99706 166.1
[M+Na]+ 369.97900 175.6
[M-H]- 345.98250 167.5
[M+NH4]+ 365.02360 180.3
[M+K]+ 385.95294 170.7
[M+H-H2O]+ 329.98704 157.8
[M+HCOO]- 391.98798 172.4
[M+CH3COO]- 406.00363 207.3
[M+Na-2H]- 367.96445 174.5
[M]+ 346.98923 166.3
[M]- 346.99033 166.3
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.