CID 72233263

3-bromo-5-cyclopropoxybenzoic acid

Structural Information

Molecular Formula
C10H9BrO3
SMILES
C1CC1OC2=CC(=CC(=C2)C(=O)O)Br
InChI
InChI=1S/C10H9BrO3/c11-7-3-6(10(12)13)4-9(5-7)14-8-1-2-8/h3-5,8H,1-2H2,(H,12,13)
InChIKey
ABQJCEFBGAOWDC-UHFFFAOYSA-N
Compound name
3-bromo-5-cyclopropyloxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

255.97351 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.980786 145.4
[M+Na]+ 278.962728 158.4
[M-H]- 254.966234 154.4
[M+NH4]+ 274.007333 161.0
[M+K]+ 294.936668 146.9
[M+H-H2O]+ 238.970770 144.9
[M+HCOO]- 300.971711 165.9
[M+CH3COO]- 314.987361 191.7
[M+Na-2H]- 276.948176 151.4
[M]+ 255.97296142 166.2
[M]- 255.97405858 166.2
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