CID 23353558

2-(5-bromothiophen-3-yl)-1,3-dioxolane

Structural Information

Molecular Formula
C7H7BrO2S
SMILES
C1COC(O1)C2=CSC(=C2)Br
InChI
InChI=1S/C7H7BrO2S/c8-6-3-5(4-11-6)7-9-1-2-10-7/h3-4,7H,1-2H2
InChIKey
KTNGTIPQHVYSLT-UHFFFAOYSA-N
Compound name
2-(5-bromothiophen-3-yl)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

233.93501 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.942286 139.3
[M+Na]+ 256.924228 152.4
[M-H]- 232.927734 150.7
[M+NH4]+ 251.968833 162.7
[M+K]+ 272.898168 145.0
[M+H-H2O]+ 216.932270 141.8
[M+HCOO]- 278.933211 156.8
[M+CH3COO]- 292.948861 156.1
[M+Na-2H]- 254.909676 143.6
[M]+ 233.93446142 160.1
[M]- 233.93555858 160.1
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