CID 331658

9,10-dithia-1,5-diaza-anthracene

Structural Information

Molecular Formula
C10H6N2S2
SMILES
C1=CC2=C(N=C1)SC3=C(S2)N=CC=C3
InChI
InChI=1S/C10H6N2S2/c1-3-7-9(11-5-1)14-8-4-2-6-12-10(8)13-7/h1-6H
InChIKey
IJTRUQJAHVJUTP-UHFFFAOYSA-N
Compound name
2,9-dithia-4,11-diazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.99724 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.00452 135.9
[M+Na]+ 240.98646 146.7
[M-H]- 216.98996 138.5
[M+NH4]+ 236.03106 154.8
[M+K]+ 256.96040 141.1
[M+H-H2O]+ 200.99450 129.8
[M+HCOO]- 262.99544 145.8
[M+CH3COO]- 277.01109 148.5
[M+Na-2H]- 238.97191 143.8
[M]+ 217.99669 137.3
[M]- 217.99779 137.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.