CID 10921203

2-chloro-1,3-benzothiazol-6-amine

Structural Information

Molecular Formula
C7H5ClN2S
SMILES
C1=CC2=C(C=C1N)SC(=N2)Cl
InChI
InChI=1S/C7H5ClN2S/c8-7-10-5-2-1-4(9)3-6(5)11-7/h1-3H,9H2
InChIKey
YPTWPDOGEAHMOR-UHFFFAOYSA-N
Compound name
2-chloro-1,3-benzothiazol-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

169
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

literature stripe

Patent stripe

patents stripe