CID 157293

79128-47-5

Structural Information

Molecular Formula
C10H12BrNS
SMILES
C1CNC(SC1)C2=CC(=CC=C2)Br
InChI
InChI=1S/C10H12BrNS/c11-9-4-1-3-8(7-9)10-12-5-2-6-13-10/h1,3-4,7,10,12H,2,5-6H2
InChIKey
OUIOUCHEXSCWJQ-UHFFFAOYSA-N
Compound name
2-(3-bromophenyl)-1,3-thiazinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.98737 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.99465 140.2
[M+Na]+ 279.97659 150.0
[M-H]- 255.98009 146.5
[M+NH4]+ 275.02119 159.5
[M+K]+ 295.95053 137.4
[M+H-H2O]+ 239.98463 140.5
[M+HCOO]- 301.98557 152.3
[M+CH3COO]- 316.00122 153.8
[M+Na-2H]- 277.96204 145.2
[M]+ 256.98682 154.3
[M]- 256.98792 154.3
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

No patent data available for this compound.