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]+ 184.05908 132.3
[M+Na]+ 206.04102 140.5
[M-H]- 182.04452 135.1
[M+NH4]+ 201.08562 153.6
[M+K]+ 222.01496 136.5
[M+H-H2O]+ 166.04906 126.1
[M+HCOO]- 228.05000 148.1
[M+CH3COO]- 242.06565 145.2
[M+Na-2H]- 204.02647 136.4
[M]+ 183.05125 128.6
[M]- 183.05235 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