CID 158058

96992-71-1

Structural Information

Molecular Formula
C3H6ClNO
SMILES
C(/C=C/Cl)ON
InChI
InChI=1S/C3H6ClNO/c4-2-1-3-6-5/h1-2H,3,5H2/b2-1+
InChIKey
XGNHRRHYGMFKAQ-OWOJBTEDSA-N
Compound name
O-[(E)-3-chloroprop-2-enyl]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

106
Patents

107.013794 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.02107 117.2
[M+Na]+ 130.00301 125.9
[M-H]- 106.00652 117.3
[M+NH4]+ 125.04762 140.6
[M+K]+ 145.97695 123.7
[M+H-H2O]+ 90.011054 114.0
[M+HCOO]- 152.01200 138.3
[M+CH3COO]- 166.02764 166.4
[M+Na-2H]- 127.98846 124.6
[M]+ 107.01325 117.9
[M]- 107.01434 117.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe