CID 82306031

1260752-23-5

Structural Information

Molecular Formula
C11H11BrO3
SMILES
COC1=C(C=C(C=C1)C2(CC2)C(=O)O)Br
InChI
InChI=1S/C11H11BrO3/c1-15-9-3-2-7(6-8(9)12)11(4-5-11)10(13)14/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKey
LYGXMBZITQVKIZ-UHFFFAOYSA-N
Compound name
1-(3-bromo-4-methoxyphenyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

269.98917 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.99645 149.1
[M+Na]+ 292.97839 162.3
[M-H]- 268.98189 158.3
[M+NH4]+ 288.02299 166.0
[M+K]+ 308.95233 151.6
[M+H-H2O]+ 252.98643 149.7
[M+HCOO]- 314.98737 169.0
[M+CH3COO]- 329.00302 193.9
[M+Na-2H]- 290.96384 155.7
[M]+ 269.98862 170.9
[M]- 269.98972 170.9
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