CID 43539452

6-bromo-n-methyl-3,4-dihydro-2h-1-benzothiopyran-4-amine

Structural Information

Molecular Formula
C10H12BrNS
SMILES
CNC1CCSC2=C1C=C(C=C2)Br
InChI
InChI=1S/C10H12BrNS/c1-12-9-4-5-13-10-3-2-7(11)6-8(9)10/h2-3,6,9,12H,4-5H2,1H3
InChIKey
ADMWZOCUPSQHDJ-UHFFFAOYSA-N
Compound name
6-bromo-N-methyl-3,4-dihydro-2H-thiochromen-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

256.98737 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.99465 134.5
[M+Na]+ 279.97659 137.9
[M+NH4]+ 275.02119 141.6
[M+K]+ 295.95053 135.4
[M-H]- 255.98009 137.3
[M+Na-2H]- 277.96204 138.8
[M]+ 256.98682 135.1
[M]- 256.98792 135.1
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