CID 77244

2,5-dimethylphenanthrene

Structural Information

Molecular Formula
C16H14
SMILES
CC1=CC2=C(C=C1)C3=C(C=CC=C3C=C2)C
InChI
InChI=1S/C16H14/c1-11-6-9-15-14(10-11)8-7-13-5-3-4-12(2)16(13)15/h3-10H,1-2H3
InChIKey
ANBPQRLLOPVKIG-UHFFFAOYSA-N
Compound name
2,5-dimethylphenanthrene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

206.10954 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.116816 143.1
[M+Na]+ 229.098758 154.2
[M-H]- 205.102264 149.5
[M+NH4]+ 224.143363 164.9
[M+K]+ 245.072698 148.9
[M+H-H2O]+ 189.106800 136.6
[M+HCOO]- 251.107741 166.5
[M+CH3COO]- 265.123391 157.6
[M+Na-2H]- 227.084206 152.8
[M]+ 206.10899142 145.5
[M]- 206.11008858 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