CID 69590654

Schembl5858306

Structural Information

Molecular Formula
C10H10Br2O3
SMILES
CC(C)(C1=CC(=C(C(=C1)Br)O)Br)C(=O)O
InChI
InChI=1S/C10H10Br2O3/c1-10(2,9(14)15)5-3-6(11)8(13)7(12)4-5/h3-4,13H,1-2H3,(H,14,15)
InChIKey
RVJWOUXEJPXIHX-UHFFFAOYSA-N
Compound name
2-(3,5-dibromo-4-hydroxyphenyl)-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

335.89966 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.90694 152.1
[M+Na]+ 358.88888 162.5
[M-H]- 334.89238 156.9
[M+NH4]+ 353.93348 169.0
[M+K]+ 374.86282 146.5
[M+H-H2O]+ 318.89692 159.9
[M+HCOO]- 380.89786 164.2
[M+CH3COO]- 394.91351 205.9
[M+Na-2H]- 356.87433 156.7
[M]+ 335.89911 185.6
[M]- 335.90021 185.6
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