CID 13697109

2-bromophenyl 3-chloro-2,2-dimethylpropanoate

Structural Information

Molecular Formula
C11H12BrClO2
SMILES
CC(C)(CCl)C(=O)OC1=CC=CC=C1Br
InChI
InChI=1S/C11H12BrClO2/c1-11(2,7-13)10(14)15-9-6-4-3-5-8(9)12/h3-6H,7H2,1-2H3
InChIKey
HLCSQWHQAHSYJV-UHFFFAOYSA-N
Compound name
(2-bromophenyl) 3-chloro-2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.97092 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.97820 154.2
[M+Na]+ 312.96014 166.3
[M-H]- 288.96364 160.6
[M+NH4]+ 308.00474 174.7
[M+K]+ 328.93408 154.0
[M+H-H2O]+ 272.96818 155.4
[M+HCOO]- 334.96912 169.4
[M+CH3COO]- 348.98477 195.6
[M+Na-2H]- 310.94559 160.7
[M]+ 289.97037 176.5
[M]- 289.97147 176.5
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.