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]+ 385.062676 168.2
[M+Na]+ 407.044618 173.8
[M-H]- 383.048124 156.5
[M+NH4]+ 402.089223 178.4
[M+K]+ 423.018558 171.0
[M+H-H2O]+ 367.052660 156.0
[M+HCOO]- 429.053601 168.8
[M+CH3COO]- 443.069251 219.7
[M+Na-2H]- 405.030066 168.9
[M]+ 384.05485142 155.0
[M]- 384.05594858 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.