CID 87481295

715646-50-7

Structural Information

Molecular Formula
C9H6F13NO4S
SMILES
CN(CC(=O)O)S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H6F13NO4S/c1-23(2-3(24)25)28(26,27)9(21,22)7(16,17)5(12,13)4(10,11)6(14,15)8(18,19)20/h2H2,1H3,(H,24,25)
InChIKey
YGKAWLSSJSOXNM-UHFFFAOYSA-N
Compound name
2-[methyl(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

470.981 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.98828 166.9
[M+Na]+ 493.97022 173.4
[M-H]- 469.97372 176.0
[M+NH4]+ 489.01482 178.1
[M+K]+ 509.94416 178.4
[M+H-H2O]+ 453.97826 158.0
[M+HCOO]- 515.97920 183.4
[M+CH3COO]- 529.99485 230.3
[M+Na-2H]- 491.95567 165.2
[M]+ 470.98045 167.0
[M]- 470.98155 167.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe