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

No literature data available for this compound.

Patent stripe

patents stripe