CID 53408450

885272-10-6

Structural Information

Molecular Formula
C11H8N2S
SMILES
C1=CSC(=C1)C2=CC3=C(C=C2)C=NN3
InChI
InChI=1S/C11H8N2S/c1-2-11(14-5-1)8-3-4-9-7-12-13-10(9)6-8/h1-7H,(H,12,13)
InChIKey
KMNIXGREYASOFW-UHFFFAOYSA-N
Compound name
6-thiophen-2-yl-1H-indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

200.04082 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.04810 139.5
[M+Na]+ 223.03004 151.8
[M-H]- 199.03354 145.1
[M+NH4]+ 218.07464 161.2
[M+K]+ 239.00398 146.8
[M+H-H2O]+ 183.03808 133.6
[M+HCOO]- 245.03902 159.3
[M+CH3COO]- 259.05467 154.0
[M+Na-2H]- 221.01549 143.3
[M]+ 200.04027 142.1
[M]- 200.04137 142.1
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