CID 3016028

38982-12-6

Structural Information

Molecular Formula
C17H12O
SMILES
C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C=CC=O
InChI
InChI=1S/C17H12O/c18-11-5-10-17-15-8-3-1-6-13(15)12-14-7-2-4-9-16(14)17/h1-12H
InChIKey
NLHDGEXLFCDTHQ-UHFFFAOYSA-N
Compound name
3-anthracen-9-ylprop-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

232.08882 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.09610 149.5
[M+Na]+ 255.07804 159.8
[M-H]- 231.08154 155.3
[M+NH4]+ 250.12264 169.7
[M+K]+ 271.05198 153.5
[M+H-H2O]+ 215.08608 142.5
[M+HCOO]- 277.08702 173.1
[M+CH3COO]- 291.10267 163.1
[M+Na-2H]- 253.06349 159.3
[M]+ 232.08827 151.7
[M]- 232.08937 151.7
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