CID 136045249

716379-11-2

Structural Information

Molecular Formula
C5H4ClN3O
SMILES
C1=CC(=NN=C1/C=N/O)Cl
InChI
InChI=1S/C5H4ClN3O/c6-5-2-1-4(3-7-10)8-9-5/h1-3,10H/b7-3+
InChIKey
GMSTWAWXGCXWFN-XVNBXDOJSA-N
Compound name
(NE)-N-[(6-chloropyridazin-3-yl)methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

157.00429 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.01157 126.4
[M+Na]+ 179.99351 136.7
[M-H]- 155.99701 127.7
[M+NH4]+ 175.03811 145.4
[M+K]+ 195.96745 133.4
[M+H-H2O]+ 140.00155 120.0
[M+HCOO]- 202.00249 146.5
[M+CH3COO]- 216.01814 174.9
[M+Na-2H]- 177.97896 136.0
[M]+ 157.00374 128.0
[M]- 157.00484 128.0
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