CID 140208

2-chloro-5-methylthiophene

Structural Information

Molecular Formula
C5H5ClS
SMILES
CC1=CC=C(S1)Cl
InChI
InChI=1S/C5H5ClS/c1-4-2-3-5(6)7-4/h2-3H,1H3
InChIKey
JSMMZMYGEVUURX-UHFFFAOYSA-N
Compound name
2-chloro-5-methylthiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1640
Patents

131.98004 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.98732 121.3
[M+Na]+ 154.96926 132.5
[M-H]- 130.97276 126.1
[M+NH4]+ 150.01386 147.0
[M+K]+ 170.94320 129.2
[M+H-H2O]+ 114.97730 117.9
[M+HCOO]- 176.97824 138.0
[M+CH3COO]- 190.99389 168.5
[M+Na-2H]- 152.95471 124.5
[M]+ 131.97949 124.8
[M]- 131.98059 124.8
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

patents stripe