CID 105410527

Methyl 2-(3-bromo-4-methylphenyl)-2-chloroacetate

Structural Information

Molecular Formula
C10H10BrClO2
SMILES
CC1=C(C=C(C=C1)C(C(=O)OC)Cl)Br
InChI
InChI=1S/C10H10BrClO2/c1-6-3-4-7(5-8(6)11)9(12)10(13)14-2/h3-5,9H,1-2H3
InChIKey
AWHBZFXNFBHBDP-UHFFFAOYSA-N
Compound name
methyl 2-(3-bromo-4-methylphenyl)-2-chloroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.95526 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.96254 147.9
[M+Na]+ 298.94448 160.6
[M-H]- 274.94798 154.6
[M+NH4]+ 293.98908 169.1
[M+K]+ 314.91842 148.6
[M+H-H2O]+ 258.95252 149.1
[M+HCOO]- 320.95346 164.0
[M+CH3COO]- 334.96911 194.3
[M+Na-2H]- 296.92993 152.6
[M]+ 275.95471 170.1
[M]- 275.95581 170.1
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

No patent data available for this compound.