CID 19385646

Methyl 2-bromo-2-(2,6-dichlorophenyl)acetate

Structural Information

Molecular Formula
C9H7BrCl2O2
SMILES
COC(=O)C(C1=C(C=CC=C1Cl)Cl)Br
InChI
InChI=1S/C9H7BrCl2O2/c1-14-9(13)8(10)7-5(11)3-2-4-6(7)12/h2-4,8H,1H3
InChIKey
PWJTWMYNRYPGGZ-UHFFFAOYSA-N
Compound name
methyl 2-bromo-2-(2,6-dichlorophenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

295.90063 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.90791 147.0
[M+Na]+ 318.88985 160.7
[M-H]- 294.89335 153.3
[M+NH4]+ 313.93445 167.8
[M+K]+ 334.86379 147.5
[M+H-H2O]+ 278.89789 149.1
[M+HCOO]- 340.89883 158.7
[M+CH3COO]- 354.91448 195.8
[M+Na-2H]- 316.87530 151.8
[M]+ 295.90008 169.6
[M]- 295.90118 169.6
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