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]+ 400.02596 169.8
[M+Na]+ 422.00790 176.2
[M-H]- 398.01140 158.7
[M+NH4]+ 417.05250 171.9
[M+K]+ 437.98184 174.1
[M+H-H2O]+ 382.01594 157.9
[M+HCOO]- 444.01688 179.3
[M+CH3COO]- 458.03253 218.4
[M+Na-2H]- 419.99335 171.8
[M]+ 399.01813 160.5
[M]- 399.01923 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