CID 19351

2-ethylphenanthrene

Structural Information

Molecular Formula
C16H14
SMILES
CCC1=CC2=C(C=C1)C3=CC=CC=C3C=C2
InChI
InChI=1S/C16H14/c1-2-12-7-10-16-14(11-12)9-8-13-5-3-4-6-15(13)16/h3-11H,2H2,1H3
InChIKey
UMAHMIHRNVICDZ-UHFFFAOYSA-N
Compound name
2-ethylphenanthrene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

210
Patents

206.10954 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.116816 143.3
[M+Na]+ 229.098758 153.5
[M-H]- 205.102264 149.3
[M+NH4]+ 224.143363 164.8
[M+K]+ 245.072698 148.1
[M+H-H2O]+ 189.106800 136.6
[M+HCOO]- 251.107741 166.6
[M+CH3COO]- 265.123391 157.3
[M+Na-2H]- 227.084206 153.7
[M]+ 206.10899142 145.2
[M]- 206.11008858 145.2
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