CID 165799275

2-(4-bromothiophen-3-yl)oxolane-2-carboxylic acid

Structural Information

Molecular Formula
C9H9BrO3S
SMILES
C1CC(OC1)(C2=CSC=C2Br)C(=O)O
InChI
InChI=1S/C9H9BrO3S/c10-7-5-14-4-6(7)9(8(11)12)2-1-3-13-9/h4-5H,1-3H2,(H,11,12)
InChIKey
ZMYRZCJQFOGIRH-UHFFFAOYSA-N
Compound name
2-(4-bromothiophen-3-yl)oxolane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.9456 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.952876 149.3
[M+Na]+ 298.934818 161.3
[M-H]- 274.938324 158.7
[M+NH4]+ 293.979423 173.1
[M+K]+ 314.908758 152.1
[M+H-H2O]+ 258.942860 152.1
[M+HCOO]- 320.943801 164.8
[M+CH3COO]- 334.959451 186.3
[M+Na-2H]- 296.920266 152.2
[M]+ 275.94505142 169.2
[M]- 275.94614858 169.2
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.