CID 11207869

99722-81-3

Structural Information

Molecular Formula
C8H4F3NO4S
SMILES
C1=CC=C(C(=C1)OC(F)(F)F)S(=O)(=O)N=C=O
InChI
InChI=1S/C8H4F3NO4S/c9-8(10,11)16-6-3-1-2-4-7(6)17(14,15)12-5-13/h1-4H
InChIKey
WBOGEOPCZKEEIM-UHFFFAOYSA-N
Compound name
N-(oxomethylidene)-2-(trifluoromethoxy)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

61
Patents

266.98132 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.98860 148.1
[M+Na]+ 289.97054 158.0
[M-H]- 265.97404 149.8
[M+NH4]+ 285.01514 165.2
[M+K]+ 305.94448 155.2
[M+H-H2O]+ 249.97858 139.5
[M+HCOO]- 311.97952 165.5
[M+CH3COO]- 325.99517 193.1
[M+Na-2H]- 287.95599 154.0
[M]+ 266.98077 149.4
[M]- 266.98187 149.4
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