CID 7131981

6-chloro-3,4-dihydro-2h-1,4-benzothiazine

Structural Information

Molecular Formula
C8H8ClNS
SMILES
C1CSC2=C(N1)C=C(C=C2)Cl
InChI
InChI=1S/C8H8ClNS/c9-6-1-2-8-7(5-6)10-3-4-11-8/h1-2,5,10H,3-4H2
InChIKey
MQJYQSKAJAUCJD-UHFFFAOYSA-N
Compound name
6-chloro-3,4-dihydro-2H-1,4-benzothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

130
Patents

185.00659 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.01387 133.1
[M+Na]+ 207.99581 147.3
[M+NH4]+ 203.04041 144.1
[M+K]+ 223.96975 137.2
[M-H]- 183.99931 136.3
[M+Na-2H]- 205.98126 140.0
[M]+ 185.00604 136.9
[M]- 185.00714 136.9
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