CID 16226826

6-chloro-3,4-dihydro-2h-1-benzothiopyran-4-amine

Structural Information

Molecular Formula
C9H10ClNS
SMILES
C1CSC2=C(C1N)C=C(C=C2)Cl
InChI
InChI=1S/C9H10ClNS/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5,8H,3-4,11H2
InChIKey
WVOPBIDNAGCFIJ-UHFFFAOYSA-N
Compound name
6-chloro-3,4-dihydro-2H-thiochromen-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

199.02225 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.02953 136.6
[M+Na]+ 222.01147 145.4
[M-H]- 198.01497 140.6
[M+NH4]+ 217.05607 158.2
[M+K]+ 237.98541 140.1
[M+H-H2O]+ 182.01951 132.4
[M+HCOO]- 244.02045 148.8
[M+CH3COO]- 258.03610 149.6
[M+Na-2H]- 219.99692 140.7
[M]+ 199.02170 135.9
[M]- 199.02280 135.9
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