CID 96704

55771-81-8

Structural Information

Molecular Formula
C9H8Br2O3
SMILES
CCOC(=O)C1=CC(=C(C(=C1)Br)O)Br
InChI
InChI=1S/C9H8Br2O3/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4,12H,2H2,1H3
InChIKey
RLKDCOVOJVJVFI-UHFFFAOYSA-N
Compound name
ethyl 3,5-dibromo-4-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

321.88403 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.89131 144.1
[M+Na]+ 344.87325 155.1
[M-H]- 320.87675 150.1
[M+NH4]+ 339.91785 162.1
[M+K]+ 360.84719 139.9
[M+H-H2O]+ 304.88129 151.8
[M+HCOO]- 366.88223 159.1
[M+CH3COO]- 380.89788 204.7
[M+Na-2H]- 342.85870 149.4
[M]+ 321.88348 179.3
[M]- 321.88458 179.3
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