CID 87152

17557-67-4

Structural Information

Molecular Formula
C8H8N2O2S2
SMILES
CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)N
InChI
InChI=1S/C8H8N2O2S2/c1-14(11,12)5-2-3-6-7(4-5)13-8(9)10-6/h2-4H,1H3,(H2,9,10)
InChIKey
ZYHNHJAMVNINSY-UHFFFAOYSA-N
Compound name
6-methylsulfonyl-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

15
References

478
Patents

228.00272 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.01000 145.3
[M+Na]+ 250.99194 157.7
[M-H]- 226.99544 149.2
[M+NH4]+ 246.03654 165.7
[M+K]+ 266.96588 152.7
[M+H-H2O]+ 210.99998 140.4
[M+HCOO]- 273.00092 159.8
[M+CH3COO]- 287.01657 186.0
[M+Na-2H]- 248.97739 149.4
[M]+ 228.00217 149.7
[M]- 228.00327 149.7
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