CID 69909

2,7-dimethylanthracene

Structural Information

Molecular Formula
C16H14
SMILES
CC1=CC2=CC3=C(C=CC(=C3)C)C=C2C=C1
InChI
InChI=1S/C16H14/c1-11-3-5-13-9-14-6-4-12(2)8-16(14)10-15(13)7-11/h3-10H,1-2H3
InChIKey
CFDDCSMNZFPVTH-UHFFFAOYSA-N
Compound name
2,7-dimethylanthracene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

241
Patents

206.10954 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.11682 143.4
[M+Na]+ 229.09876 162.2
[M+NH4]+ 224.14336 155.4
[M+K]+ 245.07270 151.7
[M-H]- 205.10226 149.6
[M+Na-2H]- 227.08421 153.9
[M]+ 206.10899 148.4
[M]- 206.11009 148.4
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

No patent data available for this compound.