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
4
Annotation Hits

0
References

36
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 148.4
[M+Na]+ 276.02766 157.2
[M-H]- 252.03116 147.9
[M+NH4]+ 271.07226 165.5
[M+K]+ 292.00160 153.0
[M+H-H2O]+ 236.03570 140.2
[M+HCOO]- 298.03664 162.5
[M+CH3COO]- 312.05229 191.2
[M+Na-2H]- 274.01311 151.9
[M]+ 253.03789 145.8
[M]- 253.03899 145.8
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

No patent data available for this compound.