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

40
Patents

175.96988 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.97716 132.0
[M+Na]+ 198.95910 142.5
[M-H]- 174.96260 136.8
[M+NH4]+ 194.00370 155.7
[M+K]+ 214.93304 139.7
[M+H-H2O]+ 158.96714 128.3
[M+HCOO]- 220.96808 148.0
[M+CH3COO]- 234.98373 175.2
[M+Na-2H]- 196.94455 133.7
[M]+ 175.96933 137.5
[M]- 175.97043 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