CID 43345408

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

Structural Information

Molecular Formula
C9H10BrNS
SMILES
C1CSC2=C(C1N)C=C(C=C2)Br
InChI
InChI=1S/C9H10BrNS/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5,8H,3-4,11H2
InChIKey
BBIVYWYYBBNZIL-UHFFFAOYSA-N
Compound name
6-bromo-3,4-dihydro-2H-thiochromen-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

242.97173 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.97901 135.7
[M+Na]+ 265.96095 147.0
[M-H]- 241.96445 142.3
[M+NH4]+ 261.00555 158.2
[M+K]+ 281.93489 134.7
[M+H-H2O]+ 225.96899 136.4
[M+HCOO]- 287.96993 150.5
[M+CH3COO]- 301.98558 150.5
[M+Na-2H]- 263.94640 142.0
[M]+ 242.97118 151.8
[M]- 242.97228 151.8
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