CID 4711891

N-[(2-fluorophenyl)methyl]aniline

Structural Information

Molecular Formula
C13H12FN
SMILES
C1=CC=C(C=C1)NCC2=CC=CC=C2F
InChI
InChI=1S/C13H12FN/c14-13-9-5-4-6-11(13)10-15-12-7-2-1-3-8-12/h1-9,15H,10H2
InChIKey
HPLOQKBWLYWYHE-UHFFFAOYSA-N
Compound name
N-[(2-fluorophenyl)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
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

No literature data available for this compound.

Patent stripe

patents stripe