CID 13610179

Dimethylphenylnaphthalene

Structural Information

Molecular Formula
C18H16
SMILES
CC1=CC2=CC=CC=C2C(=C1C)C3=CC=CC=C3
InChI
InChI=1S/C18H16/c1-13-12-16-10-6-7-11-17(16)18(14(13)2)15-8-4-3-5-9-15/h3-12H,1-2H3
InChIKey
HOWBPCMQSAYSRQ-UHFFFAOYSA-N
Compound name
2,3-dimethyl-1-phenylnaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

232.1252 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.132476 152.3
[M+Na]+ 255.114418 161.6
[M-H]- 231.117924 160.4
[M+NH4]+ 250.159023 171.6
[M+K]+ 271.088358 156.0
[M+H-H2O]+ 215.122460 144.8
[M+HCOO]- 277.123401 175.2
[M+CH3COO]- 291.139051 165.7
[M+Na-2H]- 253.099866 159.3
[M]+ 232.12465142 152.6
[M]- 232.12574858 152.6
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