CID 2427319

2-(4-bromo-2-chloro-6-methylphenoxy)acetic acid

Structural Information

Molecular Formula
C9H8BrClO3
SMILES
CC1=CC(=CC(=C1OCC(=O)O)Cl)Br
InChI
InChI=1S/C9H8BrClO3/c1-5-2-6(10)3-7(11)9(5)14-4-8(12)13/h2-3H,4H2,1H3,(H,12,13)
InChIKey
KOQAMZSTLDPEJM-UHFFFAOYSA-N
Compound name
2-(4-bromo-2-chloro-6-methylphenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.93454 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.941816 145.5
[M+Na]+ 300.923758 159.0
[M-H]- 276.927264 151.2
[M+NH4]+ 295.968363 166.1
[M+K]+ 316.897698 146.5
[M+H-H2O]+ 260.931800 146.8
[M+HCOO]- 322.932741 161.6
[M+CH3COO]- 336.948391 192.0
[M+Na-2H]- 298.909206 150.8
[M]+ 277.93399142 167.9
[M]- 277.93508858 167.9
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.