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
2
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 174.3
[M+Na]+ 436.02355 180.3
[M-H]- 412.02705 171.9
[M+NH4]+ 431.06815 175.8
[M+K]+ 451.99749 178.0
[M+H-H2O]+ 396.03159 162.2
[M+HCOO]- 458.03253 182.8
[M+CH3COO]- 472.04818 221.2
[M+Na-2H]- 434.00900 175.8
[M]+ 413.03378 165.3
[M]- 413.03488 165.3
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