CID 4094027

24451-61-4

Structural Information

Molecular Formula

C₂₂H₁₈

SMILES

CC1=C2C=CC=CC2=C(C3=CC=CC=C13)CC4=CC=CC=C4

InChI

InChI=1S/C22H18/c1-16-18-11-5-7-13-20(18)22(15-17-9-3-2-4-10-17)21-14-8-6-12-19(16)21/h2-14H,15H2,1H3

InChIKey

CJLKRNNODLUJLE-UHFFFAOYSA-N

Compound name

9-benzyl-10-methylanthracene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 282.14084 Da
Monoisotopic Mass: 7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	283.14812	166.6
[M+Na]+	305.13006	176.2
[M-H]-	281.13356	175.3
[M+NH4]+	300.17466	184.4
[M+K]+	321.10400	168.8
[M+H-H2O]+	265.13810	157.7
[M+HCOO]-	327.13904	188.9
[M+CH3COO]-	341.15469	179.0
[M+Na-2H]-	303.11551	175.0
[M]+	282.14029	168.0
[M]-	282.14139	168.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe