CID 60642684

Propan-2-yl 5-bromo-2-chlorobenzoate

Structural Information

Molecular Formula
C10H10BrClO2
SMILES
CC(C)OC(=O)C1=C(C=CC(=C1)Br)Cl
InChI
InChI=1S/C10H10BrClO2/c1-6(2)14-10(13)8-5-7(11)3-4-9(8)12/h3-6H,1-2H3
InChIKey
OXZSNWNGQKNMPK-UHFFFAOYSA-N
Compound name
propan-2-yl 5-bromo-2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.95526 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.96254 146.9
[M+Na]+ 298.94448 151.1
[M+NH4]+ 293.98908 151.8
[M+K]+ 314.91842 151.0
[M-H]- 274.94798 147.2
[M+Na-2H]- 296.92993 150.2
[M]+ 275.95471 146.7
[M]- 275.95581 146.7
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.