CID 1133846

4-fluoro-n-(thiophen-2-ylmethyl)aniline hydrochloride

Structural Information

Molecular Formula
C11H10FNS
SMILES
C1=CSC(=C1)CNC2=CC=C(C=C2)F
InChI
InChI=1S/C11H10FNS/c12-9-3-5-10(6-4-9)13-8-11-2-1-7-14-11/h1-7,13H,8H2
InChIKey
BTESPOBCANPHTF-UHFFFAOYSA-N
Compound name
4-fluoro-N-(thiophen-2-ylmethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

207.0518 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.05908 140.4
[M+Na]+ 230.04102 149.2
[M-H]- 206.04452 146.5
[M+NH4]+ 225.08562 161.6
[M+K]+ 246.01496 144.8
[M+H-H2O]+ 190.04906 133.3
[M+HCOO]- 252.05000 161.6
[M+CH3COO]- 266.06565 154.1
[M+Na-2H]- 228.02647 143.6
[M]+ 207.05125 140.4
[M]- 207.05235 140.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe