CID 177802

Phenanthrene, 9-ethyl-10-methyl-

Structural Information

Molecular Formula
C17H16
SMILES
CCC1=C(C2=CC=CC=C2C3=CC=CC=C31)C
InChI
InChI=1S/C17H16/c1-3-13-12(2)14-8-4-5-10-16(14)17-11-7-6-9-15(13)17/h4-11H,3H2,1-2H3
InChIKey
KEJXNUMQLIPTIV-UHFFFAOYSA-N
Compound name
9-ethyl-10-methylphenanthrene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

220.1252 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.13248 148.0
[M+Na]+ 243.11442 158.6
[M-H]- 219.11792 154.2
[M+NH4]+ 238.15902 169.2
[M+K]+ 259.08836 153.1
[M+H-H2O]+ 203.12246 141.3
[M+HCOO]- 265.12340 171.0
[M+CH3COO]- 279.13905 162.0
[M+Na-2H]- 241.09987 157.1
[M]+ 220.12465 150.6
[M]- 220.12575 150.6
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