CID 138394374

6:2 hydrogen-substituted fluorotelomer betaine

Structural Information

Molecular Formula
C12H14F12NO2
SMILES
C[N+](C)(CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)F)CC(=O)O
InChI
InChI=1S/C12H13F12NO2/c1-25(2,5-7(26)27)4-3-6(13)8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)24/h6H,3-5H2,1-2H3/p+1
InChIKey
UHCSCHGCOSOIRD-UHFFFAOYSA-O
Compound name
carboxymethyl-(3,4,4,5,5,6,6,7,7,8,8,8-dodecafluorooctyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

7
Patents

432.08328 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.09056 181.7
[M+Na]+ 455.07250 188.9
[M-H]- 431.07600 188.9
[M+NH4]+ 450.11710 189.9
[M+K]+ 471.04644 191.3
[M+H-H2O]+ 415.08054 169.5
[M+HCOO]- 477.08148 199.4
[M+CH3COO]- 491.09713 223.4
[M+Na-2H]- 453.05795 178.1
[M]+ 432.08273 178.0
[M]- 432.08383 178.0
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