CID 86068660

Ypkabbmkejyqam-uhfffaoysa-n

Structural Information

Molecular Formula
C9H10F9NO4S
SMILES
CCCN(CC(=O)O)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H10F9NO4S/c1-2-3-19(4-5(20)21)24(22,23)9(17,18)7(12,13)6(10,11)8(14,15)16/h2-4H2,1H3,(H,20,21)
InChIKey
YPKABBMKEJYQAM-UHFFFAOYSA-N
Compound name
2-[1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl(propyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

399.01868 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.025956 169.8
[M+Na]+ 422.007898 176.2
[M-H]- 398.011404 158.7
[M+NH4]+ 417.052503 171.9
[M+K]+ 437.981838 174.1
[M+H-H2O]+ 382.015940 157.9
[M+HCOO]- 444.016881 179.3
[M+CH3COO]- 458.032531 218.4
[M+Na-2H]- 419.993346 171.8
[M]+ 399.01813142 160.5
[M]- 399.01922858 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