CID 11941

4,4'-dimethylbiphenyl

Structural Information

Molecular Formula
C14H14
SMILES
CC1=CC=C(C=C1)C2=CC=C(C=C2)C
InChI
InChI=1S/C14H14/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChIKey
RZTDESRVPFKCBH-UHFFFAOYSA-N
Compound name
1-methyl-4-(4-methylphenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

9994
Patents

182.10954 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.11682 138.3
[M+Na]+ 205.09876 147.0
[M-H]- 181.10226 145.5
[M+NH4]+ 200.14336 158.6
[M+K]+ 221.07270 143.2
[M+H-H2O]+ 165.10680 131.8
[M+HCOO]- 227.10774 162.8
[M+CH3COO]- 241.12339 184.4
[M+Na-2H]- 203.08421 145.2
[M]+ 182.10899 138.2
[M]- 182.11009 138.2
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