CID 37869

Perfluidone

Structural Information

Molecular Formula
C14H12F3NO4S2
SMILES
CC1=C(C=CC(=C1)S(=O)(=O)C2=CC=CC=C2)NS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C14H12F3NO4S2/c1-10-9-12(23(19,20)11-5-3-2-4-6-11)7-8-13(10)18-24(21,22)14(15,16)17/h2-9,18H,1H3
InChIKey
WHTBVLXUSXVMEV-UHFFFAOYSA-N
Compound name
N-[4-(benzenesulfonyl)-2-methylphenyl]-1,1,1-trifluoromethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

9
References

8352
Patents

379.016 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.02328 179.1
[M+Na]+ 402.00522 187.6
[M-H]- 378.00872 181.4
[M+NH4]+ 397.04982 190.7
[M+K]+ 417.97916 181.1
[M+H-H2O]+ 362.01326 169.2
[M+HCOO]- 424.01420 187.3
[M+CH3COO]- 438.02985 211.2
[M+Na-2H]- 399.99067 183.5
[M]+ 379.01545 178.8
[M]- 379.01655 178.8
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