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

No literature data available for this compound.

Patent stripe

patents stripe