CID 21029

3,3',4,4'-tetramethylbiphenyl

Structural Information

Molecular Formula
C16H18
SMILES
CC1=C(C=C(C=C1)C2=CC(=C(C=C2)C)C)C
InChI
InChI=1S/C16H18/c1-11-5-7-15(9-13(11)3)16-8-6-12(2)14(4)10-16/h5-10H,1-4H3
InChIKey
YXBIAYXZUDJVEB-UHFFFAOYSA-N
Compound name
4-(3,4-dimethylphenyl)-1,2-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1525
Patents

210.14085 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.14813 148.4
[M+Na]+ 233.13007 165.6
[M+NH4]+ 228.17467 158.9
[M+K]+ 249.10401 156.2
[M-H]- 209.13357 154.9
[M+Na-2H]- 231.11552 159.0
[M]+ 210.14030 153.1
[M]- 210.14140 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