CID 2776974

2,4,5-trifluorobenzenesulfonamide

Structural Information

Molecular Formula
C6H4F3NO2S
SMILES
C1=C(C(=CC(=C1F)S(=O)(=O)N)F)F
InChI
InChI=1S/C6H4F3NO2S/c7-3-1-5(9)6(2-4(3)8)13(10,11)12/h1-2H,(H2,10,11,12)
InChIKey
DJZNADBWJLAUPG-UHFFFAOYSA-N
Compound name
2,4,5-trifluorobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

210.99149 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.99877 133.2
[M+Na]+ 233.98071 144.5
[M-H]- 209.98421 133.7
[M+NH4]+ 229.02531 152.4
[M+K]+ 249.95465 140.6
[M+H-H2O]+ 193.98875 125.5
[M+HCOO]- 255.98969 149.6
[M+CH3COO]- 270.00534 184.8
[M+Na-2H]- 231.96616 135.9
[M]+ 210.99094 130.9
[M]- 210.99204 130.9
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