CID 53408077

885272-88-8

Structural Information

Molecular Formula
C12H10N2S
SMILES
CC1=CC=C(S1)C2=CC3=C(C=C2)NN=C3
InChI
InChI=1S/C12H10N2S/c1-8-2-5-12(15-8)9-3-4-11-10(6-9)7-13-14-11/h2-7H,1H3,(H,13,14)
InChIKey
CBKCXAJFGJLDKP-UHFFFAOYSA-N
Compound name
5-(5-methylthiophen-2-yl)-1H-indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.05647 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.06375 144.3
[M+Na]+ 237.04569 157.0
[M-H]- 213.04919 150.0
[M+NH4]+ 232.09029 165.8
[M+K]+ 253.01963 151.7
[M+H-H2O]+ 197.05373 138.5
[M+HCOO]- 259.05467 163.7
[M+CH3COO]- 273.07032 158.6
[M+Na-2H]- 235.03114 146.9
[M]+ 214.05592 147.6
[M]- 214.05702 147.6
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.