CID 165587608

Methyl 3-bromo-5-(2-bromoacetyl)benzoate

Structural Information

Molecular Formula
C10H8Br2O3
SMILES
COC(=O)C1=CC(=CC(=C1)C(=O)CBr)Br
InChI
InChI=1S/C10H8Br2O3/c1-15-10(14)7-2-6(9(13)5-11)3-8(12)4-7/h2-4H,5H2,1H3
InChIKey
YECRQDRXBUFAIX-UHFFFAOYSA-N
Compound name
methyl 3-bromo-5-(2-bromoacetyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.88403 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.89131 147.0
[M+Na]+ 356.87325 157.5
[M-H]- 332.87675 153.8
[M+NH4]+ 351.91785 165.0
[M+K]+ 372.84719 142.7
[M+H-H2O]+ 316.88129 154.6
[M+HCOO]- 378.88223 162.4
[M+CH3COO]- 392.89788 208.0
[M+Na-2H]- 354.85870 152.0
[M]+ 333.88348 182.7
[M]- 333.88458 182.7
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

No patent data available for this compound.