CID 447912

293754-55-9

Structural Information

Molecular Formula
C17H12F9NO3S
SMILES
C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O
InChI
InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2
InChIKey
SGIWFELWJPNFDH-UHFFFAOYSA-N
Compound name
N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

653
References

547
Patents

481.03943 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.04671 196.0
[M+Na]+ 504.02865 203.3
[M-H]- 480.03215 191.1
[M+NH4]+ 499.07325 202.9
[M+K]+ 520.00259 198.0
[M+H-H2O]+ 464.03669 181.3
[M+HCOO]- 526.03763 197.9
[M+CH3COO]- 540.05328 230.9
[M+Na-2H]- 502.01410 199.3
[M]+ 481.03888 186.0
[M]- 481.03998 186.0
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