CID 167040279

3-(3-bromophenyl)-3-methoxyoxolane

Structural Information

Molecular Formula
C11H13BrO2
SMILES
COC1(CCOC1)C2=CC(=CC=C2)Br
InChI
InChI=1S/C11H13BrO2/c1-13-11(5-6-14-8-11)9-3-2-4-10(12)7-9/h2-4,7H,5-6,8H2,1H3
InChIKey
DMVIMUOSXWCVPM-UHFFFAOYSA-N
Compound name
3-(3-bromophenyl)-3-methoxyoxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

256.0099 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.01718 150.3
[M+Na]+ 278.99912 161.1
[M-H]- 255.00262 160.1
[M+NH4]+ 274.04372 173.2
[M+K]+ 294.97306 152.3
[M+H-H2O]+ 239.00716 151.2
[M+HCOO]- 301.00810 170.8
[M+CH3COO]- 315.02375 188.4
[M+Na-2H]- 276.98457 157.5
[M]+ 256.00935 169.2
[M]- 256.01045 169.2
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