CID 4962648

(4-fluorophenyl)(thiophen-2-yl)methanamine hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

207.0518 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.05908 141.7
[M+Na]+ 230.04102 150.1
[M-H]- 206.04452 147.3
[M+NH4]+ 225.08562 162.5
[M+K]+ 246.01496 145.8
[M+H-H2O]+ 190.04906 134.7
[M+HCOO]- 252.05000 161.1
[M+CH3COO]- 266.06565 154.9
[M+Na-2H]- 228.02647 142.7
[M]+ 207.05125 140.1
[M]- 207.05235 140.1
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