CID 19352958

885272-41-3

Structural Information

Molecular Formula
C11H8N2S
SMILES
C1=CC2=C(C=C1C3=CSC=C3)C=NN2
InChI
InChI=1S/C11H8N2S/c1-2-11-10(6-12-13-11)5-8(1)9-3-4-14-7-9/h1-7H,(H,12,13)
InChIKey
QXHLOLJGIKCFFR-UHFFFAOYSA-N
Compound name
5-thiophen-3-yl-1H-indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

200.04082 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.048096 139.5
[M+Na]+ 223.030038 151.8
[M-H]- 199.033544 145.1
[M+NH4]+ 218.074643 161.2
[M+K]+ 239.003978 146.8
[M+H-H2O]+ 183.038080 133.6
[M+HCOO]- 245.039021 159.3
[M+CH3COO]- 259.054671 154.0
[M+Na-2H]- 221.015486 143.3
[M]+ 200.04027142 142.1
[M]- 200.04136858 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