CID 215806

Bromomethoxyphenyl 2-thiophenecarboxylate

Structural Information

Molecular Formula
C12H9BrO3S
SMILES
C1=CC=C(C(=C1)OCBr)OC(=O)C2=CC=CS2
InChI
InChI=1S/C12H9BrO3S/c13-8-15-9-4-1-2-5-10(9)16-12(14)11-6-3-7-17-11/h1-7H,8H2
InChIKey
JYHPJVMMAQNGFD-UHFFFAOYSA-N
Compound name
[2-(bromomethoxy)phenyl] thiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.9456 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.95288 155.7
[M+Na]+ 334.93482 167.8
[M-H]- 310.93832 165.6
[M+NH4]+ 329.97942 176.6
[M+K]+ 350.90876 156.9
[M+H-H2O]+ 294.94286 155.9
[M+HCOO]- 356.94380 174.3
[M+CH3COO]- 370.95945 195.8
[M+Na-2H]- 332.92027 159.3
[M]+ 311.94505 179.0
[M]- 311.94615 179.0
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.