CID 220399

5345-46-0

Structural Information

Molecular Formula
C13H10O
SMILES
C1CC2=CC=C(C3=CC=CC1=C23)C=O
InChI
InChI=1S/C13H10O/c14-8-11-7-6-10-5-4-9-2-1-3-12(11)13(9)10/h1-3,6-8H,4-5H2
InChIKey
VNEOTRCBGZQYJT-UHFFFAOYSA-N
Compound name
1,2-dihydroacenaphthylene-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

182.07317 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.08045 136.8
[M+Na]+ 205.06239 146.4
[M-H]- 181.06589 142.0
[M+NH4]+ 200.10699 161.2
[M+K]+ 221.03633 142.2
[M+H-H2O]+ 165.07043 131.4
[M+HCOO]- 227.07137 159.6
[M+CH3COO]- 241.08702 151.2
[M+Na-2H]- 203.04784 144.5
[M]+ 182.07262 138.3
[M]- 182.07372 138.3
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