CID 13058

9,10-dihydrophenanthrene

Structural Information

Molecular Formula
C14H12
SMILES
C1CC2=CC=CC=C2C3=CC=CC=C31
InChI
InChI=1S/C14H12/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-8H,9-10H2
InChIKey
XXPBFNVKTVJZKF-UHFFFAOYSA-N
Compound name
9,10-dihydrophenanthrene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

29
References

12532
Patents

180.0939 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.10118 135.6
[M+Na]+ 203.08312 143.7
[M-H]- 179.08662 140.9
[M+NH4]+ 198.12772 157.7
[M+K]+ 219.05706 139.1
[M+H-H2O]+ 163.09116 129.2
[M+HCOO]- 225.09210 156.9
[M+CH3COO]- 239.10775 149.2
[M+Na-2H]- 201.06857 145.9
[M]+ 180.09335 133.6
[M]- 180.09445 133.6
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