CID 4962703

389605-71-4

Structural Information

Molecular Formula
C8H9F3N2O2S
SMILES
C1=CC(=CC=C1N)S(=O)(=O)NCC(F)(F)F
InChI
InChI=1S/C8H9F3N2O2S/c9-8(10,11)5-13-16(14,15)7-3-1-6(12)2-4-7/h1-4,13H,5,12H2
InChIKey
CSMJYCQMIGKRQO-UHFFFAOYSA-N
Compound name
4-amino-N-(2,2,2-trifluoroethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

15
Patents

254.03368 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.04096 147.3
[M+Na]+ 277.02290 155.4
[M-H]- 253.02640 146.7
[M+NH4]+ 272.06750 163.7
[M+K]+ 292.99684 151.3
[M+H-H2O]+ 237.03094 138.6
[M+HCOO]- 299.03188 162.5
[M+CH3COO]- 313.04753 193.2
[M+Na-2H]- 275.00835 151.7
[M]+ 254.03313 143.4
[M]- 254.03423 143.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe