CID 51060052

882864-90-6

Structural Information

Molecular Formula
C23H38Cl2NO2
SMILES
CCCCCCCCCCCC(C(=O)OCC1=CC(=C(C=C1)Cl)Cl)[N+](C)(C)C
InChI
InChI=1S/C23H38Cl2NO2/c1-5-6-7-8-9-10-11-12-13-14-22(26(2,3)4)23(27)28-18-19-15-16-20(24)21(25)17-19/h15-17,22H,5-14,18H2,1-4H3/q+1
InChIKey
RHGVCOPZHLRSBG-UHFFFAOYSA-N
Compound name
[1-[(3,4-dichlorophenyl)methoxy]-1-oxotridecan-2-yl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.22797 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.23525 208.2
[M+Na]+ 453.21719 212.0
[M-H]- 429.22069 210.9
[M+NH4]+ 448.26179 220.2
[M+K]+ 469.19113 200.4
[M+H-H2O]+ 413.22523 204.6
[M+HCOO]- 475.22617 217.6
[M+CH3COO]- 489.24182 228.0
[M+Na-2H]- 451.20264 207.7
[M]+ 430.22742 216.8
[M]- 430.22852 216.8
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.