CID 17817

Methanone, (3-aminophenyl)phenyl-

Structural Information

Molecular Formula
C13H11NO
SMILES
C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)N
InChI
InChI=1S/C13H11NO/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9H,14H2
InChIKey
FUADXEJBHCKVBN-UHFFFAOYSA-N
Compound name
(3-aminophenyl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

1634
Patents

197.08406 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.091336 142.0
[M+Na]+ 220.073278 149.2
[M-H]- 196.076784 148.5
[M+NH4]+ 215.117883 160.5
[M+K]+ 236.047218 145.5
[M+H-H2O]+ 180.081320 134.9
[M+HCOO]- 242.082261 166.6
[M+CH3COO]- 256.097911 186.4
[M+Na-2H]- 218.058726 148.1
[M]+ 197.08351142 139.6
[M]- 197.08460858 139.6
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