CID 15128242

Methyl 4-bromo-2-methoxybenzoate

Structural Information

Molecular Formula
C9H9BrO3
SMILES
COC1=C(C=CC(=C1)Br)C(=O)OC
InChI
InChI=1S/C9H9BrO3/c1-12-8-5-6(10)3-4-7(8)9(11)13-2/h3-5H,1-2H3
InChIKey
WPGAGRPPDYAZAD-UHFFFAOYSA-N
Compound name
methyl 4-bromo-2-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

728
Patents

243.97351 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.98079 141.2
[M+Na]+ 266.96273 153.4
[M-H]- 242.96623 148.0
[M+NH4]+ 262.00733 162.7
[M+K]+ 282.93667 143.9
[M+H-H2O]+ 226.97077 141.4
[M+HCOO]- 288.97171 163.1
[M+CH3COO]- 302.98736 189.1
[M+Na-2H]- 264.94818 147.9
[M]+ 243.97296 163.1
[M]- 243.97406 163.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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