CID 138113224

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

Structural Information

Molecular Formula
C8H5BrClNS
SMILES
CC1=C(SC2=C1C(=NC=C2)Cl)Br
InChI
InChI=1S/C8H5BrClNS/c1-4-6-5(12-7(4)9)2-3-11-8(6)10/h2-3H,1H3
InChIKey
ZYKCUPQWCGXFGX-UHFFFAOYSA-N
Compound name
2-bromo-4-chloro-3-methylthieno[3,2-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.90146 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.90874 135.7
[M+Na]+ 283.89068 153.7
[M-H]- 259.89418 143.6
[M+NH4]+ 278.93528 160.5
[M+K]+ 299.86462 140.4
[M+H-H2O]+ 243.89872 138.0
[M+HCOO]- 305.89966 150.0
[M+CH3COO]- 319.91531 153.2
[M+Na-2H]- 281.87613 142.2
[M]+ 260.90091 160.6
[M]- 260.90201 160.6
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

No patent data available for this compound.