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]+ 243.00153 148.4
[M+Na]+ 264.98347 158.8
[M-H]- 240.98697 158.5
[M+NH4]+ 260.02807 168.6
[M+K]+ 280.95741 151.0
[M+H-H2O]+ 224.99151 149.0
[M+HCOO]- 286.99245 168.2
[M+CH3COO]- 301.00810 186.2
[M+Na-2H]- 262.96892 155.6
[M]+ 241.99370 167.1
[M]- 241.99480 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