CID 259286

9-iodophenanthrene

Structural Information

Molecular Formula
C14H9I
SMILES
C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)I
InChI
InChI=1S/C14H9I/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9H
InChIKey
CBFIPOTVFMLMFQ-UHFFFAOYSA-N
Compound name
9-iodophenanthrene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

189
Patents

303.9749 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.98218 141.1
[M+Na]+ 326.96412 144.5
[M-H]- 302.96762 139.6
[M+NH4]+ 322.00872 157.7
[M+K]+ 342.93806 145.4
[M+H-H2O]+ 286.97216 131.0
[M+HCOO]- 348.97310 159.7
[M+CH3COO]- 362.98875 151.2
[M+Na-2H]- 324.94957 140.6
[M]+ 303.97435 139.6
[M]- 303.97545 139.6
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