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]+ 186.013866 131.8
[M+Na]+ 207.995808 140.7
[M-H]- 183.999314 133.5
[M+NH4]+ 203.040413 152.3
[M+K]+ 223.969748 135.3
[M+H-H2O]+ 168.003850 127.2
[M+HCOO]- 230.004791 141.4
[M+CH3COO]- 244.020441 144.4
[M+Na-2H]- 205.981256 137.3
[M]+ 185.00604142 130.7
[M]- 185.00713858 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