CID 117466664

1898006-50-2

Structural Information

Molecular Formula
C11H10BrFO3
SMILES
COC1=C(C=C(C=C1F)Br)C2(CC2)C(=O)O
InChI
InChI=1S/C11H10BrFO3/c1-16-9-7(4-6(12)5-8(9)13)11(2-3-11)10(14)15/h4-5H,2-3H2,1H3,(H,14,15)
InChIKey
JLCRGOKBXJQODX-UHFFFAOYSA-N
Compound name
1-(5-bromo-3-fluoro-2-methoxyphenyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.97974 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.98702 150.7
[M+Na]+ 310.96896 164.7
[M-H]- 286.97246 158.9
[M+NH4]+ 306.01356 167.1
[M+K]+ 326.94290 153.4
[M+H-H2O]+ 270.97700 150.6
[M+HCOO]- 332.97794 169.6
[M+CH3COO]- 346.99359 197.4
[M+Na-2H]- 308.95441 156.2
[M]+ 287.97919 171.8
[M]- 287.98029 171.8
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.