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
1
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]+ 400.02596 195.8
[M+Na]+ 422.00790 194.7
[M+NH4]+ 417.05250 193.9
[M+K]+ 437.98184 192.7
[M-H]- 398.01140 186.5
[M+Na-2H]- 419.99335 191.3
[M]+ 399.01813 192.7
[M]- 399.01923 192.7
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