CID 69939

Einecs 212-382-8

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
3
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 170.0
[M+Na]+ 408.02865 176.5
[M-H]- 384.03215 158.8
[M+NH4]+ 403.07325 168.9
[M+K]+ 424.00259 173.9
[M+H-H2O]+ 368.03669 157.9
[M+HCOO]- 430.03763 171.4
[M+CH3COO]- 444.05328 216.7
[M+Na-2H]- 406.01410 172.2
[M]+ 385.03888 160.5
[M]- 385.03998 160.5
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