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]+ 272.010296 143.7
[M+Na]+ 293.992238 154.2
[M-H]- 269.995744 150.4
[M+NH4]+ 289.036843 165.4
[M+K]+ 309.966178 141.7
[M+H-H2O]+ 254.000280 143.9
[M+HCOO]- 316.001221 158.4
[M+CH3COO]- 330.016871 157.9
[M+Na-2H]- 291.977686 149.9
[M]+ 271.00247142 161.3
[M]- 271.00356858 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.