CID 4685154

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

Structural Information

Molecular Formula
C9H6BrClO4
SMILES
C1=C(C=C(C(=C1C=O)OCC(=O)O)Br)Cl
InChI
InChI=1S/C9H6BrClO4/c10-7-2-6(11)1-5(3-12)9(7)15-4-8(13)14/h1-3H,4H2,(H,13,14)
InChIKey
YBVLVKIVYCMFOO-UHFFFAOYSA-N
Compound name
2-(2-bromo-4-chloro-6-formylphenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

291.9138 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.921076 146.1
[M+Na]+ 314.903018 159.7
[M-H]- 290.906524 151.8
[M+NH4]+ 309.947623 165.9
[M+K]+ 330.876958 147.2
[M+H-H2O]+ 274.911060 147.2
[M+HCOO]- 336.912001 162.6
[M+CH3COO]- 350.927651 193.1
[M+Na-2H]- 312.888466 151.5
[M]+ 291.91325142 169.2
[M]- 291.91434858 169.2
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