CID 16226821

8-fluoro-3,4-dihydro-2h-1-benzothiopyran-4-amine

Structural Information

Molecular Formula
C9H10FNS
SMILES
C1CSC2=C(C1N)C=CC=C2F
InChI
InChI=1S/C9H10FNS/c10-7-3-1-2-6-8(11)4-5-12-9(6)7/h1-3,8H,4-5,11H2
InChIKey
RSQICZUGVXJDHV-UHFFFAOYSA-N
Compound name
8-fluoro-3,4-dihydro-2H-thiochromen-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

183.0518 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.059076 132.3
[M+Na]+ 206.041018 140.5
[M-H]- 182.044524 135.1
[M+NH4]+ 201.085623 153.6
[M+K]+ 222.014958 136.5
[M+H-H2O]+ 166.049060 126.1
[M+HCOO]- 228.050001 148.1
[M+CH3COO]- 242.065651 145.2
[M+Na-2H]- 204.026466 136.4
[M]+ 183.05125142 128.6
[M]- 183.05234858 128.6
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