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]+ 414.041606 174.3
[M+Na]+ 436.023548 180.3
[M-H]- 412.027054 171.9
[M+NH4]+ 431.068153 175.8
[M+K]+ 451.997488 178.0
[M+H-H2O]+ 396.031590 162.2
[M+HCOO]- 458.032531 182.8
[M+CH3COO]- 472.048181 221.2
[M+Na-2H]- 434.008996 175.8
[M]+ 413.03378142 165.3
[M]- 413.03487858 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