CID 10825020

Methyl 2-(2-bromophenyl)-2-methylpropanoate

Structural Information

Molecular Formula
C11H13BrO2
SMILES
CC(C)(C1=CC=CC=C1Br)C(=O)OC
InChI
InChI=1S/C11H13BrO2/c1-11(2,10(13)14-3)8-6-4-5-7-9(8)12/h4-7H,1-3H3
InChIKey
JYACVTTYKZGWLQ-UHFFFAOYSA-N
Compound name
methyl 2-(2-bromophenyl)-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

256.0099 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.017176 149.3
[M+Na]+ 278.999118 160.4
[M-H]- 255.002624 155.7
[M+NH4]+ 274.043723 170.2
[M+K]+ 294.973058 150.2
[M+H-H2O]+ 239.007160 149.7
[M+HCOO]- 301.008101 168.8
[M+CH3COO]- 315.023751 192.0
[M+Na-2H]- 276.984566 156.1
[M]+ 256.00935142 169.7
[M]- 256.01044858 169.7
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

patents stripe