CID 115969

Triethylamine, 2,2'-dichloro-, n-oxide

Structural Information

Molecular Formula
C6H13Cl2NO
SMILES
CC[N+](CCCl)(CCCl)[O-]
InChI
InChI=1S/C6H13Cl2NO/c1-2-9(10,5-3-7)6-4-8/h2-6H2,1H3
InChIKey
DPHJIIKILUCABY-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-chloroethyl)-N-ethylethanamine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.03741 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.044686 139.3
[M+Na]+ 208.026628 146.6
[M-H]- 184.030134 138.4
[M+NH4]+ 203.071233 160.0
[M+K]+ 224.000568 139.1
[M+H-H2O]+ 168.034670 141.7
[M+HCOO]- 230.035611 153.4
[M+CH3COO]- 244.051261 176.4
[M+Na-2H]- 206.012076 147.2
[M]+ 185.03686142 141.1
[M]- 185.03795858 141.1
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.