CID 43306296

(7-chloro-1,3-benzothiazol-2-yl)methanamine hydrochloride

Structural Information

Molecular Formula
C8H7ClN2S
SMILES
C1=CC2=C(C(=C1)Cl)SC(=N2)CN
InChI
InChI=1S/C8H7ClN2S/c9-5-2-1-3-6-8(5)12-7(4-10)11-6/h1-3H,4,10H2
InChIKey
HSVOCBIKTOZRGJ-UHFFFAOYSA-N
Compound name
(7-chloro-1,3-benzothiazol-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.00185 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.00913 136.2
[M+Na]+ 220.99107 148.9
[M-H]- 196.99457 140.3
[M+NH4]+ 216.03567 158.9
[M+K]+ 236.96501 143.4
[M+H-H2O]+ 180.99911 131.5
[M+HCOO]- 243.00005 152.6
[M+CH3COO]- 257.01570 150.9
[M+Na-2H]- 218.97652 140.9
[M]+ 198.00130 140.7
[M]- 198.00240 140.7
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

No patent data available for this compound.