CID 139595961

Perfluoropropane sulfonamido betaine disulfonate

Structural Information

Molecular Formula
C14H26F7N2O8S3
SMILES
C[N+](C)(CCCN(CCCS(=O)(=O)O)S(=O)(=O)C(C(C(F)(F)F)(F)F)(F)F)CCCS(=O)(=O)O
InChI
InChI=1S/C14H25F7N2O8S3/c1-23(2,9-5-11-33(27,28)29)8-3-6-22(7-4-10-32(24,25)26)34(30,31)14(20,21)12(15,16)13(17,18)19/h3-11H2,1-2H3,(H-,24,25,26,27,28,29)/p+1
InChIKey
LRXMWUGTUSKIRI-UHFFFAOYSA-O
Compound name
3-[1,1,2,2,3,3,3-heptafluoropropylsulfonyl(3-sulfopropyl)amino]propyl-dimethyl-(3-sulfopropyl)azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

579.074 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 580.08128 199.4
[M+Na]+ 602.06322 199.9
[M-H]- 578.06672 205.4
[M+NH4]+ 597.10782 208.3
[M+K]+ 618.03716 203.4
[M+H-H2O]+ 562.07126 184.6
[M+HCOO]- 624.07220 216.5
[M+CH3COO]- 638.08785 236.4
[M+Na-2H]- 600.04867 191.6
[M]+ 579.07345 203.3
[M]- 579.07455 203.3
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

No patent data available for this compound.