CID 71467027

N-[(2s)-2-amino-3-methylbutyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide

Structural Information

Molecular Formula
C9H13F9N2O2S
SMILES
CC(C)[C@@H](CNS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)N
InChI
InChI=1S/C9H13F9N2O2S/c1-4(2)5(19)3-20-23(21,22)9(17,18)7(12,13)6(10,11)8(14,15)16/h4-5,20H,3,19H2,1-2H3/t5-/m1/s1
InChIKey
LCROMADRNFAIKT-RXMQYKEDSA-N
Compound name
N-[(2S)-2-amino-3-methylbutyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

384.0554 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.06268 168.2
[M+Na]+ 407.04462 173.8
[M-H]- 383.04812 156.5
[M+NH4]+ 402.08922 178.4
[M+K]+ 423.01856 171.0
[M+H-H2O]+ 367.05266 156.0
[M+HCOO]- 429.05360 168.8
[M+CH3COO]- 443.06925 219.7
[M+Na-2H]- 405.03007 168.9
[M]+ 384.05485 155.0
[M]- 384.05595 155.0
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.