CID 165981061

2-(4-bromophenoxy)ethyl carbonochloridate

Structural Information

Molecular Formula
C9H8BrClO3
SMILES
C1=CC(=CC=C1OCCOC(=O)Cl)Br
InChI
InChI=1S/C9H8BrClO3/c10-7-1-3-8(4-2-7)13-5-6-14-9(11)12/h1-4H,5-6H2
InChIKey
MTUNBFKAPWLQCN-UHFFFAOYSA-N
Compound name
2-(4-bromophenoxy)ethyl carbonochloridate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.93454 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.94182 146.5
[M+Na]+ 300.92376 158.9
[M-H]- 276.92726 152.9
[M+NH4]+ 295.96836 167.3
[M+K]+ 316.89770 147.3
[M+H-H2O]+ 260.93180 147.4
[M+HCOO]- 322.93274 164.1
[M+CH3COO]- 336.94839 191.5
[M+Na-2H]- 298.90921 153.6
[M]+ 277.93399 170.0
[M]- 277.93509 170.0
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.