CID 10460200

8:2 fluorotelomer betaine

Structural Information

Molecular Formula
C14H13F17NO2
SMILES
C[N+](C)(CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CC(=O)O
InChI
InChI=1S/C14H12F17NO2/c1-32(2,5-6(33)34)4-3-7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h3-5H2,1-2H3/p+1
InChIKey
RROPBNJOTUKBHE-UHFFFAOYSA-O
Compound name
carboxymethyl-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

550.0675 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 551.07478 197.3
[M+Na]+ 573.05672 202.4
[M-H]- 549.06022 208.1
[M+NH4]+ 568.10132 207.5
[M+K]+ 589.03066 210.1
[M+H-H2O]+ 533.06476 181.2
[M+HCOO]- 595.06570 216.6
[M+CH3COO]- 609.08135 242.1
[M+Na-2H]- 571.04217 194.1
[M]+ 550.06695 194.0
[M]- 550.06805 194.0
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

No patent data available for this compound.