CID 21321436

N-benzyl-2-fluoroaniline hydrochloride

Structural Information

Molecular Formula
C13H12FN
SMILES
C1=CC=C(C=C1)CNC2=CC=CC=C2F
InChI
InChI=1S/C13H12FN/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-9,15H,10H2
InChIKey
NLUANQPLDQJAEN-UHFFFAOYSA-N
Compound name
N-benzyl-2-fluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

201.09538 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.10266 141.4
[M+Na]+ 224.08460 148.7
[M-H]- 200.08810 146.8
[M+NH4]+ 219.12920 160.1
[M+K]+ 240.05854 144.4
[M+H-H2O]+ 184.09264 133.3
[M+HCOO]- 246.09358 166.1
[M+CH3COO]- 260.10923 187.7
[M+Na-2H]- 222.07005 149.2
[M]+ 201.09483 138.7
[M]- 201.09593 138.7
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