CID 3062015

80154-78-5

Structural Information

Molecular Formula
C12H12FNS
SMILES
C1=CC(=CC(=C1)F)CC(C2=CC=CS2)N
InChI
InChI=1S/C12H12FNS/c13-10-4-1-3-9(7-10)8-11(14)12-5-2-6-15-12/h1-7,11H,8,14H2
InChIKey
DVXOWYZBFWMWIT-UHFFFAOYSA-N
Compound name
2-(3-fluorophenyl)-1-thiophen-2-ylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.06744 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.07472 146.2
[M+Na]+ 244.05666 154.1
[M-H]- 220.06016 151.6
[M+NH4]+ 239.10126 166.4
[M+K]+ 260.03060 149.6
[M+H-H2O]+ 204.06470 139.0
[M+HCOO]- 266.06564 165.3
[M+CH3COO]- 280.08129 188.5
[M+Na-2H]- 242.04211 146.7
[M]+ 221.06689 144.9
[M]- 221.06799 144.9
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

No patent data available for this compound.