CID 17794125

136645-26-6

Structural Information

Molecular Formula
C10H11BrO3
SMILES
COC(=O)COC1=CC=CC(=C1)CBr
InChI
InChI=1S/C10H11BrO3/c1-13-10(12)7-14-9-4-2-3-8(5-9)6-11/h2-5H,6-7H2,1H3
InChIKey
RHYQCZSFWWWVTB-UHFFFAOYSA-N
Compound name
methyl 2-[3-(bromomethyl)phenoxy]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

257.98917 Da
Monoisotopic Mass

2.3
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

No literature data available for this compound.

Patent stripe

patents stripe