CID 3006712

Ferrous; cyclopenta-1,3-diene; 2-cyclopenta-1,3-dien-1-yl-2,3-dihydro-1,3-benzothiazole

Structural Information

Molecular Formula
C12H11NS
SMILES
C1=CC=C2C(=C1)NC(S2)C3C=CC=C3
InChI
InChI=1S/C12H11NS/c1-2-6-9(5-1)12-13-10-7-3-4-8-11(10)14-12/h1-9,12-13H
InChIKey
HBFHIOSIOBESBO-UHFFFAOYSA-N
Compound name
2-cyclopenta-2,4-dien-1-yl-2,3-dihydro-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

201.06122 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.06850 142.6
[M+Na]+ 224.05044 152.3
[M-H]- 200.05394 148.5
[M+NH4]+ 219.09504 165.4
[M+K]+ 240.02438 147.6
[M+H-H2O]+ 184.05848 137.3
[M+HCOO]- 246.05942 160.4
[M+CH3COO]- 260.07507 156.2
[M+Na-2H]- 222.03589 144.2
[M]+ 201.06067 142.2
[M]- 201.06177 142.2
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.