CID 348428

7495-46-7

Structural Information

Molecular Formula
C16H18
SMILES
CC1=C(C(=CC=C1)C2=CC=CC(=C2C)C)C
InChI
InChI=1S/C16H18/c1-11-7-5-9-15(13(11)3)16-10-6-8-12(2)14(16)4/h5-10H,1-4H3
InChIKey
NGDMCVXWKKYGRQ-UHFFFAOYSA-N
Compound name
1-(2,3-dimethylphenyl)-2,3-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

200
Patents

210.14085 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.14813 148.4
[M+Na]+ 233.13007 165.6
[M+NH4]+ 228.17467 158.9
[M+K]+ 249.10401 156.2
[M-H]- 209.13357 154.9
[M+Na-2H]- 231.11552 159.0
[M]+ 210.14030 153.1
[M]- 210.14140 153.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe