CID 207616

Brn 2194600

Structural Information

Molecular Formula
C13H12F17NO
SMILES
C[N+](C)(CCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)[O-]
InChI
InChI=1S/C13H12F17NO/c1-31(2,32)5-3-4-6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)30/h3-5H2,1-2H3
InChIKey
MUMKQPYZWGCNMB-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-N,N-dimethylundecan-1-amine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

521.06476 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 522.07204 195.9
[M+Na]+ 544.05398 200.0
[M-H]- 520.05748 202.9
[M+NH4]+ 539.09858 204.9
[M+K]+ 560.02792 211.2
[M+H-H2O]+ 504.06202 176.4
[M+HCOO]- 566.06296 216.5
[M+CH3COO]- 580.07861 238.5
[M+Na-2H]- 542.03943 192.3
[M]+ 521.06421 192.1
[M]- 521.06531 192.1
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.