CID 10043366

87226-88-8

Structural Information

Molecular Formula
C27H24
SMILES
CC1=CC=CC=C1C2=CC(=CC(=C2)C3=CC=CC=C3C)C4=CC=CC=C4C
InChI
InChI=1S/C27H24/c1-19-10-4-7-13-25(19)22-16-23(26-14-8-5-11-20(26)2)18-24(17-22)27-15-9-6-12-21(27)3/h4-18H,1-3H3
InChIKey
SRJLTGIQCDVQIA-UHFFFAOYSA-N
Compound name
1,3,5-tris(2-methylphenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

348.1878 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.19508 188.1
[M+Na]+ 371.17702 196.2
[M-H]- 347.18052 200.8
[M+NH4]+ 366.22162 200.8
[M+K]+ 387.15096 188.3
[M+H-H2O]+ 331.18506 177.2
[M+HCOO]- 393.18600 210.1
[M+CH3COO]- 407.20165 199.0
[M+Na-2H]- 369.16247 189.9
[M]+ 348.18725 187.7
[M]- 348.18835 187.7
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