CID 74448

1,1-bis(3,4-dimethylphenyl)ethane

Structural Information

Molecular Formula
C18H22
SMILES
CC1=C(C=C(C=C1)C(C)C2=CC(=C(C=C2)C)C)C
InChI
InChI=1S/C18H22/c1-12-6-8-17(10-14(12)3)16(5)18-9-7-13(2)15(4)11-18/h6-11,16H,1-5H3
InChIKey
NCSVCMFDHINRJE-UHFFFAOYSA-N
Compound name
4-[1-(3,4-dimethylphenyl)ethyl]-1,2-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3274
Patents

238.17215 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.17943 155.4
[M+Na]+ 261.16137 163.9
[M-H]- 237.16487 162.8
[M+NH4]+ 256.20597 174.0
[M+K]+ 277.13531 159.8
[M+H-H2O]+ 221.16941 148.6
[M+HCOO]- 283.17035 177.6
[M+CH3COO]- 297.18600 199.6
[M+Na-2H]- 259.14682 157.5
[M]+ 238.17160 157.0
[M]- 238.17270 157.0
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