CID 43539490

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

Structural Information

Molecular Formula
C11H14BrNS
SMILES
CCNC1CCSC2=C1C=C(C=C2)Br
InChI
InChI=1S/C11H14BrNS/c1-2-13-10-5-6-14-11-4-3-8(12)7-9(10)11/h3-4,7,10,13H,2,5-6H2,1H3
InChIKey
RPXFUNFOAAVJPC-UHFFFAOYSA-N
Compound name
6-bromo-N-ethyl-3,4-dihydro-2H-thiochromen-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.00302 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.01030 143.7
[M+Na]+ 293.99224 154.2
[M-H]- 269.99574 150.4
[M+NH4]+ 289.03684 165.4
[M+K]+ 309.96618 141.7
[M+H-H2O]+ 254.00028 143.9
[M+HCOO]- 316.00122 158.4
[M+CH3COO]- 330.01687 157.9
[M+Na-2H]- 291.97769 149.9
[M]+ 271.00247 161.3
[M]- 271.00357 161.3
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.