CID 9579455

2-acetylphenoxathin oxime

Structural Information

Molecular Formula
C14H11NO2S
SMILES
C/C(=N\O)/C1=CC2=C(C=C1)OC3=CC=CC=C3S2
InChI
InChI=1S/C14H11NO2S/c1-9(15-16)10-6-7-12-14(8-10)18-13-5-3-2-4-11(13)17-12/h2-8,16H,1H3/b15-9+
InChIKey
NGJMFTAPYKJSKQ-OQLLNIDSSA-N
Compound name
(NE)-N-(1-phenoxathiin-2-ylethylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

257.05106 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.05834 151.5
[M+Na]+ 280.04028 159.8
[M-H]- 256.04378 157.6
[M+NH4]+ 275.08488 169.5
[M+K]+ 296.01422 156.8
[M+H-H2O]+ 240.04832 145.0
[M+HCOO]- 302.04926 167.4
[M+CH3COO]- 316.06491 164.0
[M+Na-2H]- 278.02573 158.9
[M]+ 257.05051 153.8
[M]- 257.05161 153.8
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.