CID 7580

Diphenylmethane

Structural Information

Molecular Formula
C13H12
SMILES
C1=CC=C(C=C1)CC2=CC=CC=C2
InChI
InChI=1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2
InChIKey
CZZYITDELCSZES-UHFFFAOYSA-N
Compound name
benzylbenzene
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

1815
References

173928
Patents

168.0939 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.10118 134.6
[M+Na]+ 191.08312 141.8
[M-H]- 167.08662 141.2
[M+NH4]+ 186.12772 154.8
[M+K]+ 207.05706 138.2
[M+H-H2O]+ 151.09116 127.9
[M+HCOO]- 213.09210 159.4
[M+CH3COO]- 227.10775 148.5
[M+Na-2H]- 189.06857 143.5
[M]+ 168.09335 133.4
[M]- 168.09445 133.4
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