CID 74681

2,3-dimethyl-2,3-diphenylbutane

Structural Information

Molecular Formula
C18H22
SMILES
CC(C)(C1=CC=CC=C1)C(C)(C)C2=CC=CC=C2
InChI
InChI=1S/C18H22/c1-17(2,15-11-7-5-8-12-15)18(3,4)16-13-9-6-10-14-16/h5-14H,1-4H3
InChIKey
HGTUJZTUQFXBIH-UHFFFAOYSA-N
Compound name
(2,3-dimethyl-3-phenylbutan-2-yl)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

12806
Patents

238.17215 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.17943 157.1
[M+Na]+ 261.16137 163.0
[M-H]- 237.16487 163.4
[M+NH4]+ 256.20597 174.7
[M+K]+ 277.13531 159.1
[M+H-H2O]+ 221.16941 150.4
[M+HCOO]- 283.17035 177.0
[M+CH3COO]- 297.18600 195.1
[M+Na-2H]- 259.14682 164.5
[M]+ 238.17160 156.7
[M]- 238.17270 156.7
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