CID 15856

(2-(alpha-(alpha,alpha,alpha-trifluoro-m-tolyl)benzyloxy)ethyl)trimethylammonium iodide

Structural Information

Molecular Formula
C19H23F3NO
SMILES
C[N+](C)(C)CCOC(C1=CC=CC=C1)C2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C19H23F3NO/c1-23(2,3)12-13-24-18(15-8-5-4-6-9-15)16-10-7-11-17(14-16)19(20,21)22/h4-11,14,18H,12-13H2,1-3H3/q+1
InChIKey
GGJMNWCJAFVZMT-UHFFFAOYSA-N
Compound name
trimethyl-[2-[phenyl-[3-(trifluoromethyl)phenyl]methoxy]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.1732 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.18048 178.2
[M+Na]+ 361.16242 183.7
[M-H]- 337.16592 181.9
[M+NH4]+ 356.20702 191.8
[M+K]+ 377.13636 174.3
[M+H-H2O]+ 321.17046 170.3
[M+HCOO]- 383.17140 195.6
[M+CH3COO]- 397.18705 210.1
[M+Na-2H]- 359.14787 184.5
[M]+ 338.17265 175.1
[M]- 338.17375 175.1
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.