CID 96400

7149-49-7

Structural Information

Molecular Formula
C12H8O2
SMILES
C1=CC=C2C=C(C(=CC2=C1)C=O)C=O
InChI
InChI=1S/C12H8O2/c13-7-11-5-9-3-1-2-4-10(9)6-12(11)8-14/h1-8H
InChIKey
ZIPLKLQPLOWLTM-UHFFFAOYSA-N
Compound name
naphthalene-2,3-dicarbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

188
References

849
Patents

184.05243 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.059706 134.7
[M+Na]+ 207.041648 144.7
[M-H]- 183.045154 139.8
[M+NH4]+ 202.086253 155.9
[M+K]+ 223.015588 141.2
[M+H-H2O]+ 167.049690 128.8
[M+HCOO]- 229.050631 159.1
[M+CH3COO]- 243.066281 182.4
[M+Na-2H]- 205.027096 143.3
[M]+ 184.05188142 136.7
[M]- 184.05297858 136.7
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