CID 44629976

183960-95-4

Structural Information

Molecular Formula
C8H5BO2S3
SMILES
B(C1=CC2=C(S1)C3=C(S2)C=CS3)(O)O
InChI
InChI=1S/C8H5BO2S3/c10-9(11)6-3-5-8(14-6)7-4(13-5)1-2-12-7/h1-3,10-11H
InChIKey
NCQLXXAFCGRZLW-UHFFFAOYSA-N
Compound name
3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-ylboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

239.95447 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.96175 144.6
[M+Na]+ 262.94369 154.4
[M+NH4]+ 257.98829 154.9
[M+K]+ 278.91763 148.9
[M-H]- 238.94719 146.5
[M+Na-2H]- 260.92914 146.8
[M]+ 239.95392 147.9
[M]- 239.95502 147.9
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

patents stripe