CID 72233263

1243446-96-9

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

0
Patents

255.97351 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.98079 145.4
[M+Na]+ 278.96273 158.4
[M-H]- 254.96623 154.4
[M+NH4]+ 274.00733 161.0
[M+K]+ 294.93667 146.9
[M+H-H2O]+ 238.97077 144.9
[M+HCOO]- 300.97171 165.9
[M+CH3COO]- 314.98736 191.7
[M+Na-2H]- 276.94818 151.4
[M]+ 255.97296 166.2
[M]- 255.97406 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

No patent data available for this compound.