CID 73011349

2-amino-7-chloro-1,3-benzothiazol-4-ol

Structural Information

Molecular Formula
C7H5ClN2OS
SMILES
C1=CC(=C2C(=C1O)N=C(S2)N)Cl
InChI
InChI=1S/C7H5ClN2OS/c8-3-1-2-4(11)5-6(3)12-7(9)10-5/h1-2,11H,(H2,9,10)
InChIKey
VGVGECBOPBNZJS-UHFFFAOYSA-N
Compound name
2-amino-7-chloro-1,3-benzothiazol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

199.98111 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.988386 135.0
[M+Na]+ 222.970328 148.3
[M-H]- 198.973834 138.2
[M+NH4]+ 218.014933 157.0
[M+K]+ 238.944268 142.6
[M+H-H2O]+ 182.978370 131.0
[M+HCOO]- 244.979311 150.4
[M+CH3COO]- 258.994961 149.5
[M+Na-2H]- 220.955776 139.3
[M]+ 199.98056142 139.1
[M]- 199.98165858 139.1
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