CID 78528

2-bromoethyl chloroformate

Structural Information

Molecular Formula
C3H4BrClO2
SMILES
C(CBr)OC(=O)Cl
InChI
InChI=1S/C3H4BrClO2/c4-1-2-7-3(5)6/h1-2H2
InChIKey
ZLCKDYMZBZNBMJ-UHFFFAOYSA-N
Compound name
2-bromoethyl carbonochloridate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

586
Patents

185.90833 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.91561 124.4
[M+Na]+ 208.89755 137.4
[M-H]- 184.90105 128.0
[M+NH4]+ 203.94215 148.7
[M+K]+ 224.87149 126.6
[M+H-H2O]+ 168.90559 126.6
[M+HCOO]- 230.90653 142.1
[M+CH3COO]- 244.92218 176.3
[M+Na-2H]- 206.88300 132.8
[M]+ 185.90778 145.9
[M]- 185.90888 145.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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