CID 9570619

2-thienylphenone, oxime

Structural Information

Molecular Formula
C11H9NOS
SMILES
C1=CC=C(C=C1)/C(=N/O)/C2=CC=CS2
InChI
InChI=1S/C11H9NOS/c13-12-11(10-7-4-8-14-10)9-5-2-1-3-6-9/h1-8,13H/b12-11-
InChIKey
JPDMVNYBIMAOES-QXMHVHEDSA-N
Compound name
(NZ)-N-[phenyl(thiophen-2-yl)methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

203.04048 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.04776 142.8
[M+Na]+ 226.02970 150.6
[M-H]- 202.03320 150.1
[M+NH4]+ 221.07430 163.7
[M+K]+ 242.00364 147.0
[M+H-H2O]+ 186.03774 136.4
[M+HCOO]- 248.03868 164.4
[M+CH3COO]- 262.05433 182.9
[M+Na-2H]- 224.01515 146.1
[M]+ 203.03993 143.4
[M]- 203.04103 143.4
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

patents stripe