CID 614920

2-(4-bromophenyl)-2-methyl-1,3-dioxolane

Structural Information

Molecular Formula
C10H11BrO2
SMILES
CC1(OCCO1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C10H11BrO2/c1-10(12-6-7-13-10)8-2-4-9(11)5-3-8/h2-5H,6-7H2,1H3
InChIKey
GFOGBVQXIQGBKG-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-2-methyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

241.99425 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.00153 146.0
[M+Na]+ 264.98347 157.3
[M-H]- 240.98697 156.5
[M+NH4]+ 260.02807 168.2
[M+K]+ 280.95741 149.7
[M+H-H2O]+ 224.99151 147.4
[M+HCOO]- 286.99245 165.9
[M+CH3COO]- 301.00810 161.9
[M+Na-2H]- 262.96892 154.5
[M]+ 241.99370 165.2
[M]- 241.99480 165.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe