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]+ 276.962536 147.9
[M+Na]+ 298.944478 160.6
[M-H]- 274.947984 154.6
[M+NH4]+ 293.989083 169.1
[M+K]+ 314.918418 148.6
[M+H-H2O]+ 258.952520 149.1
[M+HCOO]- 320.953461 164.0
[M+CH3COO]- 334.969111 194.3
[M+Na-2H]- 296.929926 152.6
[M]+ 275.95471142 170.1
[M]- 275.95580858 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.