CID 18503

1,5-diisocyanatonaphthalene

Structural Information

Molecular Formula
C12H6N2O2
SMILES
C1=CC2=C(C=CC=C2N=C=O)C(=C1)N=C=O
InChI
InChI=1S/C12H6N2O2/c15-7-13-11-5-1-3-9-10(11)4-2-6-12(9)14-8-16/h1-6H
InChIKey
SBJCUZQNHOLYMD-UHFFFAOYSA-N
Compound name
1,5-diisocyanatonaphthalene
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

15
References

108068
Patents

210.04292 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.05020 139.7
[M+Na]+ 233.03214 149.4
[M-H]- 209.03564 147.5
[M+NH4]+ 228.07674 160.4
[M+K]+ 249.00608 146.4
[M+H-H2O]+ 193.04018 132.5
[M+HCOO]- 255.04112 169.5
[M+CH3COO]- 269.05677 194.4
[M+Na-2H]- 231.01759 150.0
[M]+ 210.04237 142.4
[M]- 210.04347 142.4
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