CID 363030

Nsc627574

Structural Information

Molecular Formula
C11H12S3
SMILES
C1CC2=C(C1)SS3=C2C4=C(S3)CCC4
InChI
InChI=1S/C11H12S3/c1-3-7-9(5-1)12-14-11(7)8-4-2-6-10(8)13-14/h1-6H2
InChIKey
LKNCGWPXBFKOHK-UHFFFAOYSA-N
Compound name
7,8lambda4,9-trithiatetracyclo[6.6.0.02,6.010,14]tetradeca-1(8),2(6),10(14)-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.01012 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.01740 155.4
[M+Na]+ 262.99934 169.2
[M-H]- 239.00284 163.1
[M+NH4]+ 258.04394 184.9
[M+K]+ 278.97328 166.5
[M+H-H2O]+ 223.00738 156.5
[M+HCOO]- 285.00832 164.8
[M+CH3COO]- 299.02397 169.6
[M+Na-2H]- 260.98479 153.0
[M]+ 240.00957 160.6
[M]- 240.01067 160.6
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.