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

128
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 131.8
[M+Na]+ 207.99581 140.7
[M-H]- 183.99931 133.5
[M+NH4]+ 203.04041 152.3
[M+K]+ 223.96975 135.3
[M+H-H2O]+ 168.00385 127.2
[M+HCOO]- 230.00479 141.4
[M+CH3COO]- 244.02044 144.4
[M+Na-2H]- 205.98126 137.3
[M]+ 185.00604 130.7
[M]- 185.00714 130.7
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

patents stripe