CID 18778388

N-[(2-chlorophenyl)methyl]-4-fluoroaniline

Structural Information

Molecular Formula
C13H11ClFN
SMILES
C1=CC=C(C(=C1)CNC2=CC=C(C=C2)F)Cl
InChI
InChI=1S/C13H11ClFN/c14-13-4-2-1-3-10(13)9-16-12-7-5-11(15)6-8-12/h1-8,16H,9H2
InChIKey
DYLHNBFNWGXIQQ-UHFFFAOYSA-N
Compound name
N-[(2-chlorophenyl)methyl]-4-fluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.05641 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.06369 148.2
[M+Na]+ 258.04563 157.3
[M-H]- 234.04913 153.7
[M+NH4]+ 253.09023 166.7
[M+K]+ 274.01957 151.1
[M+H-H2O]+ 218.05367 141.0
[M+HCOO]- 280.05461 168.4
[M+CH3COO]- 294.07026 192.6
[M+Na-2H]- 256.03108 154.7
[M]+ 235.05586 148.2
[M]- 235.05696 148.2
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.