CID 12595489

2-(4-phenylphenyl)aniline

Structural Information

Molecular Formula
C18H15N
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC=C3N
InChI
InChI=1S/C18H15N/c19-18-9-5-4-8-17(18)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H,19H2
InChIKey
LZCYDNMVXHWZSD-UHFFFAOYSA-N
Compound name
2-(4-phenylphenyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

184
Patents

245.12045 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.12773 156.1
[M+Na]+ 268.10967 163.5
[M-H]- 244.11317 165.5
[M+NH4]+ 263.15427 172.5
[M+K]+ 284.08361 157.5
[M+H-H2O]+ 228.11771 147.6
[M+HCOO]- 290.11865 180.9
[M+CH3COO]- 304.13430 168.6
[M+Na-2H]- 266.09512 162.5
[M]+ 245.11990 153.1
[M]- 245.12100 153.1
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