CID 3686128

2-(4-bromo-2-formyl-6-methoxyphenoxy)acetic acid

Structural Information

Molecular Formula
C10H9BrO5
SMILES
COC1=CC(=CC(=C1OCC(=O)O)C=O)Br
InChI
InChI=1S/C10H9BrO5/c1-15-8-3-7(11)2-6(4-12)10(8)16-5-9(13)14/h2-4H,5H2,1H3,(H,13,14)
InChIKey
RCDYCPFAYHFSLV-UHFFFAOYSA-N
Compound name
2-(4-bromo-2-formyl-6-methoxyphenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

287.96335 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.97063 148.9
[M+Na]+ 310.95257 160.7
[M-H]- 286.95607 154.2
[M+NH4]+ 305.99717 167.7
[M+K]+ 326.92651 150.6
[M+H-H2O]+ 270.96061 148.4
[M+HCOO]- 332.96155 169.3
[M+CH3COO]- 346.97720 194.4
[M+Na-2H]- 308.93802 153.9
[M]+ 287.96280 171.6
[M]- 287.96390 171.6
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