CID 80186

Ethyl 2-bromobenzoate

Structural Information

Molecular Formula
C9H9BrO2
SMILES
CCOC(=O)C1=CC=CC=C1Br
InChI
InChI=1S/C9H9BrO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6H,2H2,1H3
InChIKey
BIHHBTVQFPVSTE-UHFFFAOYSA-N
Compound name
ethyl 2-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

862
Patents

227.97859 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.98587 138.4
[M+Na]+ 250.96781 142.0
[M+NH4]+ 246.01241 143.3
[M+K]+ 266.94175 142.0
[M-H]- 226.97131 138.9
[M+Na-2H]- 248.95326 142.3
[M]+ 227.97804 137.8
[M]- 227.97914 137.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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