CID 9579456

1-thianthren-2-ylethanone oxime

Structural Information

Molecular Formula
C14H11NOS2
SMILES
C/C(=N\O)/C1=CC2=C(C=C1)SC3=CC=CC=C3S2
InChI
InChI=1S/C14H11NOS2/c1-9(15-16)10-6-7-13-14(8-10)18-12-5-3-2-4-11(12)17-13/h2-8,16H,1H3/b15-9+
InChIKey
KCDSNOXSQOCEFY-OQLLNIDSSA-N
Compound name
(NE)-N-(1-thianthren-2-ylethylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

273.0282 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.03548 152.0
[M+Na]+ 296.01742 160.2
[M-H]- 272.02092 156.6
[M+NH4]+ 291.06202 170.7
[M+K]+ 311.99136 154.3
[M+H-H2O]+ 256.02546 146.2
[M+HCOO]- 318.02640 162.9
[M+CH3COO]- 332.04205 163.5
[M+Na-2H]- 294.00287 157.6
[M]+ 273.02765 153.5
[M]- 273.02875 153.5
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.