CID 22574851

Ethyl 4-bromo-3-(bromomethyl)benzoate

Structural Information

Molecular Formula
C10H10Br2O2
SMILES
CCOC(=O)C1=CC(=C(C=C1)Br)CBr
InChI
InChI=1S/C10H10Br2O2/c1-2-14-10(13)7-3-4-9(12)8(5-7)6-11/h3-5H,2,6H2,1H3
InChIKey
BMPAWOLCRAJVPC-UHFFFAOYSA-N
Compound name
ethyl 4-bromo-3-(bromomethyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

319.90475 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.91203 150.9
[M+Na]+ 342.89397 146.1
[M+NH4]+ 337.93857 152.7
[M+K]+ 358.86791 152.3
[M-H]- 318.89747 151.4
[M+Na-2H]- 340.87942 152.2
[M]+ 319.90420 149.2
[M]- 319.90530 149.2
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