CID 18691213

4-chloro-6-methylthieno[3,2-c]pyridine

Structural Information

Molecular Formula
C8H6ClNS
SMILES
CC1=CC2=C(C=CS2)C(=N1)Cl
InChI
InChI=1S/C8H6ClNS/c1-5-4-7-6(2-3-11-7)8(9)10-5/h2-4H,1H3
InChIKey
ZFYRXBJJOCLJRA-UHFFFAOYSA-N
Compound name
4-chloro-6-methylthieno[3,2-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

182.99095 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.998226 131.8
[M+Na]+ 205.980168 145.4
[M-H]- 181.983674 136.6
[M+NH4]+ 201.024773 155.7
[M+K]+ 221.954108 140.5
[M+H-H2O]+ 165.988210 127.5
[M+HCOO]- 227.989151 147.9
[M+CH3COO]- 242.004801 147.3
[M+Na-2H]- 203.965616 136.9
[M]+ 182.99040142 138.0
[M]- 182.99149858 138.0
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