CID 109962

1-butanesulfonamide, 1,1,2,2,3,3,4,4,4-nonafluoro-n-(phenylmethyl)-

Structural Information

Molecular Formula
C11H8F9NO2S
SMILES
C1=CC=C(C=C1)CNS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H8F9NO2S/c12-8(13,10(16,17)18)9(14,15)11(19,20)24(22,23)21-6-7-4-2-1-3-5-7/h1-5,21H,6H2
InChIKey
WZKSJOOHUDPYFG-UHFFFAOYSA-N
Compound name
N-benzyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

7
Patents

389.0132 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.02048 172.4
[M+Na]+ 412.00242 180.3
[M-H]- 388.00592 164.5
[M+NH4]+ 407.04702 183.0
[M+K]+ 427.97636 175.4
[M+H-H2O]+ 372.01046 159.2
[M+HCOO]- 434.01140 175.5
[M+CH3COO]- 448.02705 215.4
[M+Na-2H]- 409.98787 176.7
[M]+ 389.01265 161.2
[M]- 389.01375 161.2
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