CID 69939

812-94-2

Structural Information

Molecular Formula
C9H12F9NO3S
SMILES
CN(CCCCO)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H12F9NO3S/c1-19(4-2-3-5-20)23(21,22)9(17,18)7(12,13)6(10,11)8(14,15)16/h20H,2-5H2,1H3
InChIKey
ZDKQQLGFDAYLPC-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,4-nonafluoro-N-(4-hydroxybutyl)-N-methylbutane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

385.03943 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.04671 195.0
[M+Na]+ 408.02865 194.3
[M+NH4]+ 403.07325 193.5
[M+K]+ 424.00259 191.8
[M-H]- 384.03215 186.1
[M+Na-2H]- 406.01410 190.8
[M]+ 385.03888 192.1
[M]- 385.03998 192.1
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