CID 165677819

En300-1907700

Structural Information

Molecular Formula
C11H11BrO3
SMILES
COC1=C(C=CC(=C1)Br)[C@@H]2C[C@H]2C(=O)O
InChI
InChI=1S/C11H11BrO3/c1-15-10-4-6(12)2-3-7(10)8-5-9(8)11(13)14/h2-4,8-9H,5H2,1H3,(H,13,14)/t8-,9+/m0/s1
InChIKey
UVDCTCWZBWDTKP-DTWKUNHWSA-N
Compound name
(1R,2R)-2-(4-bromo-2-methoxyphenyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.98917 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.99645 149.0
[M+Na]+ 292.97839 162.3
[M-H]- 268.98189 158.2
[M+NH4]+ 288.02299 164.3
[M+K]+ 308.95233 150.6
[M+H-H2O]+ 252.98643 148.5
[M+HCOO]- 314.98737 169.1
[M+CH3COO]- 329.00302 195.4
[M+Na-2H]- 290.96384 153.9
[M]+ 269.98862 170.5
[M]- 269.98972 170.5
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.