CID 602423

1-naphthoyl cyanide

Structural Information

Molecular Formula
C12H7NO
SMILES
C1=CC=C2C(=C1)C=CC=C2C(=O)C#N
InChI
InChI=1S/C12H7NO/c13-8-12(14)11-7-3-5-9-4-1-2-6-10(9)11/h1-7H
InChIKey
RITADAJGEQPFIR-UHFFFAOYSA-N
Compound name
naphthalene-1-carbonyl cyanide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

181.05276 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.06004 141.8
[M+Na]+ 204.04198 152.9
[M-H]- 180.04548 145.8
[M+NH4]+ 199.08658 160.6
[M+K]+ 220.01592 147.2
[M+H-H2O]+ 164.05002 129.5
[M+HCOO]- 226.05096 161.1
[M+CH3COO]- 240.06661 194.3
[M+Na-2H]- 202.02743 148.8
[M]+ 181.05221 136.9
[M]- 181.05331 136.9
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