CID 84365

2-chloro-3-methylthiophene

Structural Information

Molecular Formula
C5H5ClS
SMILES
CC1=C(SC=C1)Cl
InChI
InChI=1S/C5H5ClS/c1-4-2-3-7-5(4)6/h2-3H,1H3
InChIKey
KQFADYXPELMVHE-UHFFFAOYSA-N
Compound name
2-chloro-3-methylthiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

460
Patents

131.98004 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.98732 122.2
[M+Na]+ 154.96926 135.5
[M+NH4]+ 150.01386 133.3
[M+K]+ 170.94320 127.9
[M-H]- 130.97276 125.1
[M+Na-2H]- 152.95471 128.8
[M]+ 131.97949 125.8
[M]- 131.98059 125.8
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

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