CID 97583

2,3-methylenedioxynaphthalene

Structural Information

Molecular Formula
C11H8O2
SMILES
C1OC2=CC3=CC=CC=C3C=C2O1
InChI
InChI=1S/C11H8O2/c1-2-4-9-6-11-10(12-7-13-11)5-8(9)3-1/h1-6H,7H2
InChIKey
NWRWWWMEZJKVCS-UHFFFAOYSA-N
Compound name
benzo[f][1,3]benzodioxole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

151
Patents

172.05243 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.05971 130.0
[M+Na]+ 195.04165 139.7
[M-H]- 171.04515 137.1
[M+NH4]+ 190.08625 151.8
[M+K]+ 211.01559 139.0
[M+H-H2O]+ 155.04969 125.1
[M+HCOO]- 217.05063 151.7
[M+CH3COO]- 231.06628 145.2
[M+Na-2H]- 193.02710 140.7
[M]+ 172.05188 132.1
[M]- 172.05298 132.1
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