CID 43214096

{[5-(4-fluorophenyl)thiophen-2-yl]methyl}(propan-2-yl)amine

Structural Information

Molecular Formula
C14H16FNS
SMILES
CC(C)NCC1=CC=C(S1)C2=CC=C(C=C2)F
InChI
InChI=1S/C14H16FNS/c1-10(2)16-9-13-7-8-14(17-13)11-3-5-12(15)6-4-11/h3-8,10,16H,9H2,1-2H3
InChIKey
BJTSVIXOWFBJRY-UHFFFAOYSA-N
Compound name
N-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.09875 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.10603 154.6
[M+Na]+ 272.08797 162.6
[M-H]- 248.09147 160.6
[M+NH4]+ 267.13257 174.3
[M+K]+ 288.06191 157.9
[M+H-H2O]+ 232.09601 147.2
[M+HCOO]- 294.09695 173.6
[M+CH3COO]- 308.11260 196.3
[M+Na-2H]- 270.07342 154.5
[M]+ 249.09820 155.4
[M]- 249.09930 155.4
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.