CID 96564

Phenanthrene-9,10-diamine

Structural Information

Molecular Formula
C14H12N2
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C(=C2N)N
InChI
InChI=1S/C14H12N2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8H,15-16H2
InChIKey
VPRFQZSTJXHBHL-UHFFFAOYSA-N
Compound name
phenanthrene-9,10-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

949
Patents

208.10005 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.10733 143.2
[M+Na]+ 231.08927 159.2
[M+NH4]+ 226.13387 154.1
[M+K]+ 247.06321 150.3
[M-H]- 207.09277 149.4
[M+Na-2H]- 229.07472 152.4
[M]+ 208.09950 147.4
[M]- 208.10060 147.4
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