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]+ 234.94229 139.3
[M+Na]+ 256.92423 152.4
[M-H]- 232.92773 150.7
[M+NH4]+ 251.96883 162.7
[M+K]+ 272.89817 145.0
[M+H-H2O]+ 216.93227 141.8
[M+HCOO]- 278.93321 156.8
[M+CH3COO]- 292.94886 156.1
[M+Na-2H]- 254.90968 143.6
[M]+ 233.93446 160.1
[M]- 233.93556 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