CID 724836

2-(4-bromo-2,6-dimethylphenoxy)acetic acid

Structural Information

Molecular Formula
C10H11BrO3
SMILES
CC1=CC(=CC(=C1OCC(=O)O)C)Br
InChI
InChI=1S/C10H11BrO3/c1-6-3-8(11)4-7(2)10(6)14-5-9(12)13/h3-4H,5H2,1-2H3,(H,12,13)
InChIKey
ADOYAWLBKFVKKZ-UHFFFAOYSA-N
Compound name
2-(4-bromo-2,6-dimethylphenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

257.98917 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.99645 145.9
[M+Na]+ 280.97839 157.9
[M-H]- 256.98189 151.5
[M+NH4]+ 276.02299 166.3
[M+K]+ 296.95233 147.2
[M+H-H2O]+ 240.98643 146.1
[M+HCOO]- 302.98737 165.9
[M+CH3COO]- 317.00302 191.2
[M+Na-2H]- 278.96384 150.8
[M]+ 257.98862 166.7
[M]- 257.98972 166.7
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

patents stripe