CID 9562560

2-acetylphenanthrene oxime

Structural Information

Molecular Formula
C16H13NO
SMILES
C/C(=N\O)/C1=CC2=C(C=C1)C3=CC=CC=C3C=C2
InChI
InChI=1S/C16H13NO/c1-11(17-18)13-8-9-16-14(10-13)7-6-12-4-2-3-5-15(12)16/h2-10,18H,1H3/b17-11+
InChIKey
NCXZQCXSDGLAOG-GZTJUZNOSA-N
Compound name
(NE)-N-(1-phenanthren-2-ylethylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.09972 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.106996 149.9
[M+Na]+ 258.088938 159.1
[M-H]- 234.092444 155.8
[M+NH4]+ 253.133543 169.6
[M+K]+ 274.062878 154.2
[M+H-H2O]+ 218.096980 142.8
[M+HCOO]- 280.097921 173.6
[M+CH3COO]- 294.113571 163.1
[M+Na-2H]- 256.074386 159.5
[M]+ 235.09917142 151.2
[M]- 235.10026858 151.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.