CID 1798946

Trans-9-styrylanthracene

Structural Information

Molecular Formula
C22H16
SMILES
C1=CC=C(C=C1)/C=C/C2=C3C=CC=CC3=CC4=CC=CC=C42
InChI
InChI=1S/C22H16/c1-2-8-17(9-3-1)14-15-22-20-12-6-4-10-18(20)16-19-11-5-7-13-21(19)22/h1-16H/b15-14+
InChIKey
HCSGQHDONHRJCM-CCEZHUSRSA-N
Compound name
9-[(E)-2-phenylethenyl]anthracene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

813
Patents

280.1252 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.13248 165.5
[M+Na]+ 303.11442 174.6
[M-H]- 279.11792 173.8
[M+NH4]+ 298.15902 183.0
[M+K]+ 319.08836 166.5
[M+H-H2O]+ 263.12246 156.5
[M+HCOO]- 325.12340 188.0
[M+CH3COO]- 339.13905 177.6
[M+Na-2H]- 301.09987 174.6
[M]+ 280.12465 165.7
[M]- 280.12575 165.7
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