CID 1898264

Methyl 4-(2-bromoethoxy)benzoate

Structural Information

Molecular Formula
C10H11BrO3
SMILES
COC(=O)C1=CC=C(C=C1)OCCBr
InChI
InChI=1S/C10H11BrO3/c1-13-10(12)8-2-4-9(5-3-8)14-7-6-11/h2-5H,6-7H2,1H3
InChIKey
RVBJPYYTGUCVFR-UHFFFAOYSA-N
Compound name
methyl 4-(2-bromoethoxy)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

268
Patents

257.98917 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.99645 146.9
[M+Na]+ 280.97839 157.8
[M-H]- 256.98189 153.2
[M+NH4]+ 276.02299 167.5
[M+K]+ 296.95233 148.0
[M+H-H2O]+ 240.98643 146.7
[M+HCOO]- 302.98737 168.5
[M+CH3COO]- 317.00302 190.8
[M+Na-2H]- 278.96384 153.6
[M]+ 257.98862 168.8
[M]- 257.98972 168.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe