CID 198766

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

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

44
Patents

183.98619 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.99347 131.7
[M+Na]+ 206.97541 144.8
[M-H]- 182.97891 135.9
[M+NH4]+ 202.02001 154.9
[M+K]+ 222.94935 139.5
[M+H-H2O]+ 166.98345 127.2
[M+HCOO]- 228.98439 148.4
[M+CH3COO]- 243.00004 146.7
[M+Na-2H]- 204.96086 136.9
[M]+ 183.98564 135.8
[M]- 183.98674 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