CID 6422137

2-fluoro-n-[(2-fluorophenyl)methyl]aniline

Structural Information

Molecular Formula
C13H11F2N
SMILES
C1=CC=C(C(=C1)CNC2=CC=CC=C2F)F
InChI
InChI=1S/C13H11F2N/c14-11-6-2-1-5-10(11)9-16-13-8-4-3-7-12(13)15/h1-8,16H,9H2
InChIKey
CWMKYGHYSDRCQH-UHFFFAOYSA-N
Compound name
2-fluoro-N-[(2-fluorophenyl)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.08595 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.093226 144.3
[M+Na]+ 242.075168 152.6
[M-H]- 218.078674 148.7
[M+NH4]+ 237.119773 162.5
[M+K]+ 258.049108 147.9
[M+H-H2O]+ 202.083210 135.4
[M+HCOO]- 264.084151 168.0
[M+CH3COO]- 278.099801 191.5
[M+Na-2H]- 240.060616 150.7
[M]+ 219.08540142 141.0
[M]- 219.08649858 141.0
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

No patent data available for this compound.