CID 2737605

3-methylthiophene-2-carbonyl chloride

Structural Information

Molecular Formula
C6H5ClOS
SMILES
CC1=C(SC=C1)C(=O)Cl
InChI
InChI=1S/C6H5ClOS/c1-4-2-3-9-5(4)6(7)8/h2-3H,1H3
InChIKey
AJSVPEVDFBYRCH-UHFFFAOYSA-N
Compound name
3-methylthiophene-2-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

462
Patents

159.97496 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.98224 130.0
[M+Na]+ 182.96418 142.2
[M+NH4]+ 178.00878 139.9
[M+K]+ 198.93812 135.5
[M-H]- 158.96768 131.8
[M+Na-2H]- 180.94963 135.4
[M]+ 159.97441 133.0
[M]- 159.97551 133.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe