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 140.8
[M+Na]+ 235.00672 153.0
[M-H]- 211.01022 144.7
[M+NH4]+ 230.05132 162.8
[M+K]+ 250.98066 147.2
[M+H-H2O]+ 195.01476 135.9
[M+HCOO]- 257.01570 156.8
[M+CH3COO]- 271.03135 155.0
[M+Na-2H]- 232.99217 145.0
[M]+ 212.01695 145.6
[M]- 212.01805 145.6
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