CID 12336555

3-methoxythiophene-2-carbonyl chloride

Structural Information

Molecular Formula
C6H5ClO2S
SMILES
COC1=C(SC=C1)C(=O)Cl
InChI
InChI=1S/C6H5ClO2S/c1-9-4-2-3-10-5(4)6(7)8/h2-3H,1H3
InChIKey
FKJRKDQMPJJVGC-UHFFFAOYSA-N
Compound name
3-methoxythiophene-2-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

175.96988 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.977156 132.0
[M+Na]+ 198.959098 142.5
[M-H]- 174.962604 136.8
[M+NH4]+ 194.003703 155.7
[M+K]+ 214.933038 139.7
[M+H-H2O]+ 158.967140 128.3
[M+HCOO]- 220.968081 148.0
[M+CH3COO]- 234.983731 175.2
[M+Na-2H]- 196.944546 133.7
[M]+ 175.96933142 137.5
[M]- 175.97042858 137.5
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