CID 7131974

2-(5-chloro-1,3-benzothiazol-2-yl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C9H9ClN2S
SMILES
C1=CC2=C(C=C1Cl)N=C(S2)CCN
InChI
InChI=1S/C9H9ClN2S/c10-6-1-2-8-7(5-6)12-9(13-8)3-4-11/h1-2,5H,3-4,11H2
InChIKey
WLRNHOUULSVXDQ-UHFFFAOYSA-N
Compound name
2-(5-chloro-1,3-benzothiazol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

212.0175 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.02478 141.0
[M+Na]+ 235.00672 155.1
[M+NH4]+ 230.05132 151.3
[M+K]+ 250.98066 146.8
[M-H]- 211.01022 144.4
[M+Na-2H]- 232.99217 147.7
[M]+ 212.01695 144.8
[M]- 212.01805 144.8
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