CID 84142095

2-(5-bromothiophen-2-yl)-2-methyloxetane

Structural Information

Molecular Formula
C8H9BrOS
SMILES
CC1(CCO1)C2=CC=C(S2)Br
InChI
InChI=1S/C8H9BrOS/c1-8(4-5-10-8)6-2-3-7(9)11-6/h2-3H,4-5H2,1H3
InChIKey
WMIMGCQNZLVHLC-UHFFFAOYSA-N
Compound name
2-(5-bromothiophen-2-yl)-2-methyloxetane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.95575 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.96303 121.5
[M+Na]+ 254.94497 133.0
[M-H]- 230.94847 132.1
[M+NH4]+ 249.98957 140.3
[M+K]+ 270.91891 126.8
[M+H-H2O]+ 214.95301 119.4
[M+HCOO]- 276.95395 138.3
[M+CH3COO]- 290.96960 186.7
[M+Na-2H]- 252.93042 128.6
[M]+ 231.95520 150.3
[M]- 231.95630 150.3
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

No patent data available for this compound.