CID 520560

2-(trimethylsilyl)benzothiazole

Structural Information

Molecular Formula
C10H13NSSi
SMILES
C[Si](C)(C)C1=NC2=CC=CC=C2S1
InChI
InChI=1S/C10H13NSSi/c1-13(2,3)10-11-8-6-4-5-7-9(8)12-10/h4-7H,1-3H3
InChIKey
MNXBVXVIRAIAEG-UHFFFAOYSA-N
Compound name
1,3-benzothiazol-2-yl(trimethyl)silane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

207.0538 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.06108 142.6
[M+Na]+ 230.04302 153.7
[M-H]- 206.04652 146.9
[M+NH4]+ 225.08762 165.2
[M+K]+ 246.01696 150.2
[M+H-H2O]+ 190.05106 137.3
[M+HCOO]- 252.05200 160.8
[M+CH3COO]- 266.06765 182.7
[M+Na-2H]- 228.02847 147.9
[M]+ 207.05325 147.2
[M]- 207.05435 147.2
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

patents stripe