CID 57549

99858-23-8

Structural Information

Molecular Formula
C11H16Cl2NO
SMILES
C1=CC=C(C=C1)C[N+](CCCl)(CCCl)O
InChI
InChI=1S/C11H16Cl2NO/c12-6-8-14(15,9-7-13)10-11-4-2-1-3-5-11/h1-5,15H,6-10H2/q+1
InChIKey
UMJXWANPLYUFEL-UHFFFAOYSA-N
Compound name
benzyl-bis(2-chloroethyl)-hydroxyazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.0609 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.06818 152.3
[M+Na]+ 271.05012 159.1
[M-H]- 247.05362 154.7
[M+NH4]+ 266.09472 170.4
[M+K]+ 287.02406 148.5
[M+H-H2O]+ 231.05816 150.7
[M+HCOO]- 293.05910 165.6
[M+CH3COO]- 307.07475 186.5
[M+Na-2H]- 269.03557 161.1
[M]+ 248.06035 154.5
[M]- 248.06145 154.5
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.