CID 42604836

1166228-30-3

Structural Information

Molecular Formula
C18H14F4N2O4S
SMILES
CC(CS(=O)(=O)C1=CC=CC(=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O
InChI
InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-4-2-3-12(19)7-14)16(25)24-13-6-5-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)
InChIKey
JNUHKUUHIXCACT-UHFFFAOYSA-N
Compound name
N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(3-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

430.06104 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.06832 202.8
[M+Na]+ 453.05026 211.3
[M-H]- 429.05376 202.4
[M+NH4]+ 448.09486 210.4
[M+K]+ 469.02420 206.3
[M+H-H2O]+ 413.05830 186.1
[M+HCOO]- 475.05924 208.8
[M+CH3COO]- 489.07489 230.4
[M+Na-2H]- 451.03571 202.9
[M]+ 430.06049 195.0
[M]- 430.06159 195.0
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