CID 63216654

2-[(4-bromo-2-methylphenoxy)methyl]oxirane

Structural Information

Molecular Formula
C10H11BrO2
SMILES
CC1=C(C=CC(=C1)Br)OCC2CO2
InChI
InChI=1S/C10H11BrO2/c1-7-4-8(11)2-3-10(7)13-6-9-5-12-9/h2-4,9H,5-6H2,1H3
InChIKey
LLGVTBVOLLSFLV-UHFFFAOYSA-N
Compound name
2-[(4-bromo-2-methylphenoxy)methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.99425 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.00153 144.7
[M+Na]+ 264.98347 158.4
[M-H]- 240.98697 155.7
[M+NH4]+ 260.02807 160.6
[M+K]+ 280.95741 148.9
[M+H-H2O]+ 224.99151 143.9
[M+HCOO]- 286.99245 166.3
[M+CH3COO]- 301.00810 192.1
[M+Na-2H]- 262.96892 153.1
[M]+ 241.99370 167.7
[M]- 241.99480 167.7
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.