CID 468122

O-(2-chlorobenzyl)hydroxylamine

Structural Information

Molecular Formula
C7H8ClNO
SMILES
C1=CC=C(C(=C1)CON)Cl
InChI
InChI=1S/C7H8ClNO/c8-7-4-2-1-3-6(7)5-10-9/h1-4H,5,9H2
InChIKey
WJWMBNQCKBRAHA-UHFFFAOYSA-N
Compound name
O-[(2-chlorophenyl)methyl]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

39
Patents

157.02943 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.03671 128.4
[M+Na]+ 180.01865 137.5
[M-H]- 156.02215 131.8
[M+NH4]+ 175.06325 149.9
[M+K]+ 195.99259 134.2
[M+H-H2O]+ 140.02669 123.8
[M+HCOO]- 202.02763 149.7
[M+CH3COO]- 216.04328 176.4
[M+Na-2H]- 178.00410 135.8
[M]+ 157.02888 129.6
[M]- 157.02998 129.6
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