CID 139596049

4:4 fluorotelomer betaine

Structural Information

Molecular Formula
C12H17F9NO2
SMILES
C[N+](C)(CCCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CC(=O)O
InChI
InChI=1S/C12H16F9NO2/c1-22(2,7-8(23)24)6-4-3-5-9(13,14)10(15,16)11(17,18)12(19,20)21/h3-7H2,1-2H3/p+1
InChIKey
MIIJSWOFURFCFI-UHFFFAOYSA-O
Compound name
carboxymethyl-dimethyl-(5,5,6,6,7,7,8,8,8-nonafluorooctyl)azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

378.11157 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.11885 170.3
[M+Na]+ 401.10079 184.2
[M-H]- 377.10429 180.5
[M+NH4]+ 396.14539 182.2
[M+K]+ 417.07473 169.2
[M+H-H2O]+ 361.10883 161.9
[M+HCOO]- 423.10977 196.9
[M+CH3COO]- 437.12542 213.9
[M+Na-2H]- 399.08624 176.5
[M]+ 378.11102 174.5
[M]- 378.11212 174.5
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.