CID 3062017

Alpha-(m-fluorobenzyl)-n-isopropyl-2-thenylamine hydrochloride

Structural Information

Molecular Formula
C15H18FNS
SMILES
CC(C)NC(CC1=CC(=CC=C1)F)C2=CC=CS2
InChI
InChI=1S/C15H18FNS/c1-11(2)17-14(15-7-4-8-18-15)10-12-5-3-6-13(16)9-12/h3-9,11,14,17H,10H2,1-2H3
InChIKey
LXLWACDYVSAEOG-UHFFFAOYSA-N
Compound name
N-[2-(3-fluorophenyl)-1-thiophen-2-ylethyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.1144 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.12168 160.1
[M+Na]+ 286.10362 166.3
[M-H]- 262.10712 165.5
[M+NH4]+ 281.14822 178.7
[M+K]+ 302.07756 161.9
[M+H-H2O]+ 246.11166 152.2
[M+HCOO]- 308.11260 177.7
[M+CH3COO]- 322.12825 199.0
[M+Na-2H]- 284.08907 158.9
[M]+ 263.11385 160.2
[M]- 263.11495 160.2
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.