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
1
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 199.2
[M+Na]+ 450.03922 198.1
[M+NH4]+ 445.08382 197.3
[M+K]+ 466.01316 195.9
[M-H]- 426.04272 189.9
[M+Na-2H]- 448.02467 194.6
[M]+ 427.04945 196.1
[M]- 427.05055 196.1
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.