CID 2384454

4-(4-bromophenoxy)butanoic acid

Structural Information

Molecular Formula
C10H11BrO3
SMILES
C1=CC(=CC=C1OCCCC(=O)O)Br
InChI
InChI=1S/C10H11BrO3/c11-8-3-5-9(6-4-8)14-7-1-2-10(12)13/h3-6H,1-2,7H2,(H,12,13)
InChIKey
CAYLTZLOXKEIFY-UHFFFAOYSA-N
Compound name
4-(4-bromophenoxy)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

37
Patents

257.98917 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.99645 147.7
[M+Na]+ 280.97839 158.0
[M-H]- 256.98189 152.5
[M+NH4]+ 276.02299 167.5
[M+K]+ 296.95233 147.3
[M+H-H2O]+ 240.98643 147.6
[M+HCOO]- 302.98737 167.7
[M+CH3COO]- 317.00302 189.0
[M+Na-2H]- 278.96384 153.8
[M]+ 257.98862 167.8
[M]- 257.98972 167.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe