CID 44144472

4,7-methanobenzotrithiole, hexahydro-

Structural Information

Molecular Formula
C7H10S3
SMILES
C1C[C@H]2C[C@@H]1[C@@H]3[C@H]2SSS3
InChI
InChI=1S/C7H10S3/c1-2-5-3-4(1)6-7(5)9-10-8-6/h4-7H,1-3H2/t4-,5+,6-,7+
InChIKey
SBQNMCWSECNNTA-UMRXKNAASA-N
Compound name
(1S,2S,6R,7R)-3,4,5-trithiatricyclo[5.2.1.02,6]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.99446 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.00174 140.6
[M+Na]+ 212.98368 151.3
[M-H]- 188.98718 144.4
[M+NH4]+ 208.02828 169.1
[M+K]+ 228.95762 149.1
[M+H-H2O]+ 172.99172 140.2
[M+HCOO]- 234.99266 146.6
[M+CH3COO]- 249.00831 153.8
[M+Na-2H]- 210.96913 139.4
[M]+ 189.99391 142.3
[M]- 189.99501 142.3
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.