CID 86068659

Tvtjzxmsckbvkl-uhfffaoysa-n

Structural Information

Molecular Formula
C10H12F9NO4S
SMILES
CCCCN(CC(=O)O)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H12F9NO4S/c1-2-3-4-20(5-6(21)22)25(23,24)10(18,19)8(13,14)7(11,12)9(15,16)17/h2-5H2,1H3,(H,21,22)
InChIKey
TVTJZXMSCKBVKL-UHFFFAOYSA-N
Compound name
2-[butyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

413.03433 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.04161 197.5
[M+Na]+ 436.02355 196.4
[M+NH4]+ 431.06815 195.6
[M+K]+ 451.99749 194.3
[M-H]- 412.02705 188.2
[M+Na-2H]- 434.00900 192.9
[M]+ 413.03378 194.4
[M]- 413.03488 194.4
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