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

2
Patents

291.9138 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.92108 146.1
[M+Na]+ 314.90302 159.7
[M-H]- 290.90652 151.8
[M+NH4]+ 309.94762 165.9
[M+K]+ 330.87696 147.2
[M+H-H2O]+ 274.91106 147.2
[M+HCOO]- 336.91200 162.6
[M+CH3COO]- 350.92765 193.1
[M+Na-2H]- 312.88847 151.5
[M]+ 291.91325 169.2
[M]- 291.91435 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