CID 77543965

2-(2-bromophenyl)-2-methoxyacetic acid

Structural Information

Molecular Formula
C9H9BrO3
SMILES
COC(C1=CC=CC=C1Br)C(=O)O
InChI
InChI=1S/C9H9BrO3/c1-13-8(9(11)12)6-4-2-3-5-7(6)10/h2-5,8H,1H3,(H,11,12)
InChIKey
CDVMGVHQRHYPBI-UHFFFAOYSA-N
Compound name
2-(2-bromophenyl)-2-methoxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.97351 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.98079 143.5
[M+Na]+ 266.96273 153.9
[M-H]- 242.96623 148.5
[M+NH4]+ 262.00733 163.7
[M+K]+ 282.93667 143.9
[M+H-H2O]+ 226.97077 143.6
[M+HCOO]- 288.97171 162.9
[M+CH3COO]- 302.98736 187.0
[M+Na-2H]- 264.94818 148.9
[M]+ 243.97296 162.6
[M]- 243.97406 162.6
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

No patent data available for this compound.