CID 69565634

Benzo[c]isothiazol-7-amine

Structural Information

Molecular Formula
C7H6N2S
SMILES
C1=CC2=CSN=C2C(=C1)N
InChI
InChI=1S/C7H6N2S/c8-6-3-1-2-5-4-10-9-7(5)6/h1-4H,8H2
InChIKey
RXLIUQPHMAEAKY-UHFFFAOYSA-N
Compound name
2,1-benzothiazol-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

150.02516 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.03244 125.1
[M+Na]+ 173.01438 138.5
[M+NH4]+ 168.05898 135.6
[M+K]+ 188.98832 131.4
[M-H]- 149.01788 128.6
[M+Na-2H]- 170.99983 132.7
[M]+ 150.02461 128.5
[M]- 150.02571 128.5
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