CID 11010480

2-(3,3,3-trifluoropropyl)benzenesulfonamide

Structural Information

Molecular Formula
C9H10F3NO2S
SMILES
C1=CC=C(C(=C1)CCC(F)(F)F)S(=O)(=O)N
InChI
InChI=1S/C9H10F3NO2S/c10-9(11,12)6-5-7-3-1-2-4-8(7)16(13,14)15/h1-4H,5-6H2,(H2,13,14,15)
InChIKey
PIJUMEVHGDAQBH-UHFFFAOYSA-N
Compound name
2-(3,3,3-trifluoropropyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

28
Patents

253.03844 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.04572 155.6
[M+Na]+ 276.02766 162.5
[M+NH4]+ 271.07226 160.2
[M+K]+ 292.00160 157.0
[M-H]- 252.03116 151.6
[M+Na-2H]- 274.01311 158.2
[M]+ 253.03789 155.5
[M]- 253.03899 155.5
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