CID 12566

4-methylbiphenyl

Structural Information

Molecular Formula
C13H12
SMILES
CC1=CC=C(C=C1)C2=CC=CC=C2
InChI
InChI=1S/C13H12/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h2-10H,1H3
InChIKey
ZZLCFHIKESPLTH-UHFFFAOYSA-N
Compound name
1-methyl-4-phenylbenzene
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

11
References

24817
Patents

168.0939 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.10118 134.1
[M+Na]+ 191.08312 142.3
[M-H]- 167.08662 141.1
[M+NH4]+ 186.12772 154.7
[M+K]+ 207.05706 138.7
[M+H-H2O]+ 151.09116 127.6
[M+HCOO]- 213.09210 159.0
[M+CH3COO]- 227.10775 148.4
[M+Na-2H]- 189.06857 142.3
[M]+ 168.09335 133.3
[M]- 168.09445 133.3
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