CID 730302

2-(2-bromo-4-chlorophenoxy)acetic acid

Structural Information

Molecular Formula
C8H6BrClO3
SMILES
C1=CC(=C(C=C1Cl)Br)OCC(=O)O
InChI
InChI=1S/C8H6BrClO3/c9-6-3-5(10)1-2-7(6)13-4-8(11)12/h1-3H,4H2,(H,11,12)
InChIKey
IQFPVGBBDOCAMI-UHFFFAOYSA-N
Compound name
2-(2-bromo-4-chlorophenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

263.91888 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.926156 141.7
[M+Na]+ 286.908098 154.7
[M-H]- 262.911604 147.2
[M+NH4]+ 281.952703 162.5
[M+K]+ 302.882038 142.4
[M+H-H2O]+ 246.916140 143.0
[M+HCOO]- 308.917081 158.1
[M+CH3COO]- 322.932731 188.0
[M+Na-2H]- 284.893546 148.1
[M]+ 263.91833142 163.4
[M]- 263.91942858 163.4
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