CID 12134349

2-(4-(bromomethyl)phenyl)-1,3-dioxolane

Structural Information

Molecular Formula
C10H11BrO2
SMILES
C1COC(O1)C2=CC=C(C=C2)CBr
InChI
InChI=1S/C10H11BrO2/c11-7-8-1-3-9(4-2-8)10-12-5-6-13-10/h1-4,10H,5-7H2
InChIKey
YLHRFAYHNFVLAD-UHFFFAOYSA-N
Compound name
2-[4-(bromomethyl)phenyl]-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

241.99425 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.001526 148.4
[M+Na]+ 264.983468 158.8
[M-H]- 240.986974 158.5
[M+NH4]+ 260.028073 168.6
[M+K]+ 280.957408 151.0
[M+H-H2O]+ 224.991510 149.0
[M+HCOO]- 286.992451 168.2
[M+CH3COO]- 301.008101 186.2
[M+Na-2H]- 262.968916 155.6
[M]+ 241.99370142 167.1
[M]- 241.99479858 167.1
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