CID 198766

3-chloro-1,2-benzothiazol-5-amine

Structural Information

Molecular Formula
C7H5ClN2S
SMILES
C1=CC2=C(C=C1N)C(=NS2)Cl
InChI
InChI=1S/C7H5ClN2S/c8-7-5-3-4(9)1-2-6(5)11-10-7/h1-3H,9H2
InChIKey
RDJGOLRFSSFEDL-UHFFFAOYSA-N
Compound name
3-chloro-1,2-benzothiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

183.98619 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.993466 131.7
[M+Na]+ 206.975408 144.8
[M-H]- 182.978914 135.9
[M+NH4]+ 202.020013 154.9
[M+K]+ 222.949348 139.5
[M+H-H2O]+ 166.983450 127.2
[M+HCOO]- 228.984391 148.4
[M+CH3COO]- 243.000041 146.7
[M+Na-2H]- 204.960856 136.9
[M]+ 183.98564142 135.8
[M]- 183.98673858 135.8
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