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

30
Patents

256.0099 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.01718 149.3
[M+Na]+ 278.99912 160.4
[M-H]- 255.00262 155.7
[M+NH4]+ 274.04372 170.2
[M+K]+ 294.97306 150.2
[M+H-H2O]+ 239.00716 149.7
[M+HCOO]- 301.00810 168.8
[M+CH3COO]- 315.02375 192.0
[M+Na-2H]- 276.98457 156.1
[M]+ 256.00935 169.7
[M]- 256.01045 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