CID 10802195

Methyl 2-[4-(2-bromoethoxy)phenyl]acetate

Structural Information

Molecular Formula
C11H13BrO3
SMILES
COC(=O)CC1=CC=C(C=C1)OCCBr
InChI
InChI=1S/C11H13BrO3/c1-14-11(13)8-9-2-4-10(5-3-9)15-7-6-12/h2-5H,6-8H2,1H3
InChIKey
NCEPIIRKXIJJJM-UHFFFAOYSA-N
Compound name
methyl 2-[4-(2-bromoethoxy)phenyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

272.00482 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.01210 151.6
[M+Na]+ 294.99404 162.1
[M-H]- 270.99754 157.7
[M+NH4]+ 290.03864 171.7
[M+K]+ 310.96798 152.1
[M+H-H2O]+ 255.00208 151.2
[M+HCOO]- 317.00302 172.8
[M+CH3COO]- 331.01867 193.6
[M+Na-2H]- 292.97949 157.8
[M]+ 272.00427 173.8
[M]- 272.00537 173.8
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