CID 135478853

18705-39-0

Structural Information

Molecular Formula
C8H8N2O2
SMILES
C1=CC(=CC=C1/C=N/O)/C=N\O
InChI
InChI=1S/C8H8N2O2/c11-9-5-7-1-2-8(4-3-7)6-10-12/h1-6,11-12H/b9-5-,10-6+
InChIKey
UFJKQCPYFKAUEO-VTBWALSUSA-N
Compound name
(NE)-N-[[4-[(Z)-hydroxyiminomethyl]phenyl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

59
Patents

164.05858 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.06586 130.9
[M+Na]+ 187.04780 138.6
[M-H]- 163.05130 134.9
[M+NH4]+ 182.09240 151.1
[M+K]+ 203.02174 136.6
[M+H-H2O]+ 147.05584 124.6
[M+HCOO]- 209.05678 158.7
[M+CH3COO]- 223.07243 180.2
[M+Na-2H]- 185.03325 139.5
[M]+ 164.05803 130.6
[M]- 164.05913 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

No patent data available for this compound.