CID 90085

N-(2,4-difluorophenyl)-1,1,1-trifluoromethanesulfonamide

Structural Information

Molecular Formula
C7H4F5NO2S
SMILES
C1=CC(=C(C=C1F)F)NS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C7H4F5NO2S/c8-4-1-2-6(5(9)3-4)13-16(14,15)7(10,11)12/h1-3,13H
InChIKey
BYVQDUPTZRDDAE-UHFFFAOYSA-N
Compound name
N-(2,4-difluorophenyl)-1,1,1-trifluoromethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

260.98828 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.99556 143.3
[M+Na]+ 283.97750 153.7
[M-H]- 259.98100 141.2
[M+NH4]+ 279.02210 160.3
[M+K]+ 299.95144 149.6
[M+H-H2O]+ 243.98554 133.6
[M+HCOO]- 305.98648 156.4
[M+CH3COO]- 320.00213 192.7
[M+Na-2H]- 281.96295 147.0
[M]+ 260.98773 138.9
[M]- 260.98883 138.9
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