CID 21793074

7-chlorothieno[2,3-d]pyridazine

Structural Information

Molecular Formula
C6H3ClN2S
SMILES
C1=CSC2=C(N=NC=C21)Cl
InChI
InChI=1S/C6H3ClN2S/c7-6-5-4(1-2-10-5)3-8-9-6/h1-3H
InChIKey
GRWGIQKVUKVOQF-UHFFFAOYSA-N
Compound name
7-chlorothieno[2,3-d]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

169.97055 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.97783 126.6
[M+Na]+ 192.95977 140.3
[M-H]- 168.96327 129.9
[M+NH4]+ 188.00437 149.4
[M+K]+ 208.93371 135.9
[M+H-H2O]+ 152.96781 121.4
[M+HCOO]- 214.96875 142.1
[M+CH3COO]- 228.98440 141.9
[M+Na-2H]- 190.94522 133.3
[M]+ 169.97000 132.1
[M]- 169.97110 132.1
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