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]+ 222.074716 146.2
[M+Na]+ 244.056658 154.1
[M-H]- 220.060164 151.6
[M+NH4]+ 239.101263 166.4
[M+K]+ 260.030598 149.6
[M+H-H2O]+ 204.064700 139.0
[M+HCOO]- 266.065641 165.3
[M+CH3COO]- 280.081291 188.5
[M+Na-2H]- 242.042106 146.7
[M]+ 221.06689142 144.9
[M]- 221.06798858 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.