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

5
Patents

182.99095 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.99823 131.8
[M+Na]+ 205.98017 145.4
[M-H]- 181.98367 136.6
[M+NH4]+ 201.02477 155.7
[M+K]+ 221.95411 140.5
[M+H-H2O]+ 165.98821 127.5
[M+HCOO]- 227.98915 147.9
[M+CH3COO]- 242.00480 147.3
[M+Na-2H]- 203.96562 136.9
[M]+ 182.99040 138.0
[M]- 182.99150 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