CID 67516858

Methyl 3-bromo-2-chlorobenzoate

Structural Information

Molecular Formula
C8H6BrClO2
SMILES
COC(=O)C1=C(C(=CC=C1)Br)Cl
InChI
InChI=1S/C8H6BrClO2/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4H,1H3
InChIKey
OWPJVOSLLKRKQJ-UHFFFAOYSA-N
Compound name
methyl 3-bromo-2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

139
Patents

247.92397 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.93125 139.2
[M+Na]+ 270.91319 144.1
[M+NH4]+ 265.95779 144.5
[M+K]+ 286.88713 143.7
[M-H]- 246.91669 139.7
[M+Na-2H]- 268.89864 143.2
[M]+ 247.92342 139.1
[M]- 247.92452 139.1
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

patents stripe