CID 64713106

(3-chloro-2-fluorophenyl)(phenyl)methanamine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.05641 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.06369 149.0
[M+Na]+ 258.04563 157.8
[M-H]- 234.04913 154.0
[M+NH4]+ 253.09023 167.2
[M+K]+ 274.01957 151.7
[M+H-H2O]+ 218.05367 141.9
[M+HCOO]- 280.05461 167.5
[M+CH3COO]- 294.07026 192.8
[M+Na-2H]- 256.03108 153.2
[M]+ 235.05586 147.4
[M]- 235.05696 147.4
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.