CID 131726672

Keqzpcbehrjvma-uhfffaoysa-m

Structural Information

Molecular Formula
C11H14F9NO4S
SMILES
CCCN(CCCC(=O)O)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H14F9NO4S/c1-2-5-21(6-3-4-7(22)23)26(24,25)11(19,20)9(14,15)8(12,13)10(16,17)18/h2-6H2,1H3,(H,22,23)
InChIKey
MAPFSXTVNCJKEZ-UHFFFAOYSA-N
Compound name
4-[1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl(propyl)amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

427.05 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.05728 178.7
[M+Na]+ 450.03922 178.1
[M-H]- 426.04272 175.4
[M+NH4]+ 445.08382 179.7
[M+K]+ 466.01316 181.8
[M+H-H2O]+ 410.04726 166.5
[M+HCOO]- 472.04820 186.4
[M+CH3COO]- 486.06385 224.0
[M+Na-2H]- 448.02467 179.9
[M]+ 427.04945 171.1
[M]- 427.05055 171.1
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

No patent data available for this compound.