CID 267957

24240-48-0

Structural Information

Molecular Formula
C11H11N3O2S
SMILES
C=CCSCN1C2=C(C=CC(=C2)[N+](=O)[O-])C=N1
InChI
InChI=1S/C11H11N3O2S/c1-2-5-17-8-13-11-6-10(14(15)16)4-3-9(11)7-12-13/h2-4,6-7H,1,5,8H2
InChIKey
FSTZKKUNVZBYOX-UHFFFAOYSA-N
Compound name
6-nitro-1-(prop-2-enylsulfanylmethyl)indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.0572 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.064476 152.4
[M+Na]+ 272.046418 162.1
[M-H]- 248.049924 155.2
[M+NH4]+ 267.091023 169.9
[M+K]+ 288.020358 153.5
[M+H-H2O]+ 232.054460 149.8
[M+HCOO]- 294.055401 171.9
[M+CH3COO]- 308.071051 186.4
[M+Na-2H]- 270.031866 158.2
[M]+ 249.05665142 155.4
[M]- 249.05774858 155.4
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.