CID 38285

Benzothiazole, 2-(tert-butylthio)-

Structural Information

Molecular Formula
C11H13NS2
SMILES
CC(C)(C)SC1=NC2=CC=CC=C2S1
InChI
InChI=1S/C11H13NS2/c1-11(2,3)14-10-12-8-6-4-5-7-9(8)13-10/h4-7H,1-3H3
InChIKey
OBNJMMOIUUIFCV-UHFFFAOYSA-N
Compound name
2-tert-butylsulfanyl-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

223.04893 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.05621 146.9
[M+Na]+ 246.03815 158.5
[M-H]- 222.04165 151.1
[M+NH4]+ 241.08275 168.6
[M+K]+ 262.01209 153.9
[M+H-H2O]+ 206.04619 142.1
[M+HCOO]- 268.04713 159.7
[M+CH3COO]- 282.06278 160.5
[M+Na-2H]- 244.02360 150.1
[M]+ 223.04838 152.5
[M]- 223.04948 152.5
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