CID 693157

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

Structural Information

Molecular Formula
C8H6BrClO3
SMILES
C1=CC(=C(C=C1Br)Cl)OCC(=O)O
InChI
InChI=1S/C8H6BrClO3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)
InChIKey
VCDBRFZHSIYFRO-UHFFFAOYSA-N
Compound name
2-(4-bromo-2-chlorophenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
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

literature stripe

Patent stripe

patents stripe