CID 69504

9-anthraldehyde

Structural Information

Molecular Formula
C15H10O
SMILES
C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C=O
InChI
InChI=1S/C15H10O/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-10H
InChIKey
YMNKUHIVVMFOFO-UHFFFAOYSA-N
Compound name
anthracene-9-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

53
References

2464
Patents

206.07317 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.080446 140.9
[M+Na]+ 229.062388 151.8
[M-H]- 205.065894 147.1
[M+NH4]+ 224.106993 162.3
[M+K]+ 245.036328 146.6
[M+H-H2O]+ 189.070430 134.3
[M+HCOO]- 251.071371 165.0
[M+CH3COO]- 265.087021 155.4
[M+Na-2H]- 227.047836 151.9
[M]+ 206.07262142 143.3
[M]- 206.07371858 143.3
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