CID 130480790

1697531-05-7

Structural Information

Molecular Formula
C10H9BrO3
SMILES
C1CC1(C(=O)O)OC2=CC=CC=C2Br
InChI
InChI=1S/C10H9BrO3/c11-7-3-1-2-4-8(7)14-10(5-6-10)9(12)13/h1-4H,5-6H2,(H,12,13)
InChIKey
PEGQFLHUCLTGNQ-UHFFFAOYSA-N
Compound name
1-(2-bromophenoxy)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.97351 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.980786 145.8
[M+Na]+ 278.962728 158.7
[M-H]- 254.966234 154.9
[M+NH4]+ 274.007333 163.0
[M+K]+ 294.936668 148.3
[M+H-H2O]+ 238.970770 146.5
[M+HCOO]- 300.971711 166.2
[M+CH3COO]- 314.987361 190.2
[M+Na-2H]- 276.948176 153.5
[M]+ 255.97296142 167.0
[M]- 255.97405858 167.0
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.