CID 128796

9-anthroylcyanide

Structural Information

Molecular Formula
C16H9NO
SMILES
C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C(=O)C#N
InChI
InChI=1S/C16H9NO/c17-10-15(18)16-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)16/h1-9H
InChIKey
FMKFDGUBVPIERQ-UHFFFAOYSA-N
Compound name
anthracene-9-carbonyl cyanide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

22
Patents

231.06842 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.07570 157.7
[M+Na]+ 254.05764 170.5
[M-H]- 230.06114 162.3
[M+NH4]+ 249.10224 175.6
[M+K]+ 270.03158 161.8
[M+H-H2O]+ 214.06568 144.7
[M+HCOO]- 276.06662 176.6
[M+CH3COO]- 290.08227 169.3
[M+Na-2H]- 252.04309 165.2
[M]+ 231.06787 154.2
[M]- 231.06897 154.2
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