CID 6509737

Benzo(b)thiophen-4(5h)-one, 6,7-dihydro-, oxime

Structural Information

Molecular Formula
C8H9NOS
SMILES
C1CC2=C(C=CS2)/C(=N\O)/C1
InChI
InChI=1S/C8H9NOS/c10-9-7-2-1-3-8-6(7)4-5-11-8/h4-5,10H,1-3H2/b9-7-
InChIKey
JMHKHQOLEYGCNT-CLFYSBASSA-N
Compound name
(NZ)-N-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

167.04048 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.047756 131.5
[M+Na]+ 190.029698 139.6
[M-H]- 166.033204 136.2
[M+NH4]+ 185.074303 155.4
[M+K]+ 206.003638 136.8
[M+H-H2O]+ 150.037740 126.6
[M+HCOO]- 212.038681 150.5
[M+CH3COO]- 226.054331 145.4
[M+Na-2H]- 188.015146 135.8
[M]+ 167.03993142 130.6
[M]- 167.04102858 130.6
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