CID 130480790

1-(2-bromophenoxy)cyclopropane-1-carboxylicacid

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]+ 256.98079 145.8
[M+Na]+ 278.96273 158.7
[M-H]- 254.96623 154.9
[M+NH4]+ 274.00733 163.0
[M+K]+ 294.93667 148.3
[M+H-H2O]+ 238.97077 146.5
[M+HCOO]- 300.97171 166.2
[M+CH3COO]- 314.98736 190.2
[M+Na-2H]- 276.94818 153.5
[M]+ 255.97296 167.0
[M]- 255.97406 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.