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

291
Patents

257.98917 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.996446 146.9
[M+Na]+ 280.978388 157.8
[M-H]- 256.981894 153.2
[M+NH4]+ 276.022993 167.5
[M+K]+ 296.952328 148.0
[M+H-H2O]+ 240.986430 146.7
[M+HCOO]- 302.987371 168.5
[M+CH3COO]- 317.003021 190.8
[M+Na-2H]- 278.963836 153.6
[M]+ 257.98862142 168.8
[M]- 257.98971858 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