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

258
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 143.1
[M+Na]+ 229.09876 154.2
[M-H]- 205.10226 149.5
[M+NH4]+ 224.14336 164.9
[M+K]+ 245.07270 148.9
[M+H-H2O]+ 189.10680 136.6
[M+HCOO]- 251.10774 166.5
[M+CH3COO]- 265.12339 157.6
[M+Na-2H]- 227.08421 152.8
[M]+ 206.10899 145.5
[M]- 206.11009 145.5
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