CID 12811042

139460-29-0

Structural Information

Molecular Formula

C₇H₇Cl₂NO

SMILES

C1=CC(=C(C=C1Cl)Cl)CNO

InChI

InChI=1S/C7H7Cl2NO/c8-6-2-1-5(4-10-11)7(9)3-6/h1-3,10-11H,4H2

InChIKey

YUOKZXVJSSKAHJ-UHFFFAOYSA-N

Compound name

N-[(2,4-dichlorophenyl)methyl]hydroxylamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 190.99046 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	191.99774	134.2
[M+Na]+	213.97968	144.2
[M-H]-	189.98318	136.3
[M+NH4]+	209.02428	154.5
[M+K]+	229.95362	138.8
[M+H-H2O]+	173.98772	130.9
[M+HCOO]-	235.98866	149.5
[M+CH3COO]-	250.00431	180.4
[M+Na-2H]-	211.96513	140.6
[M]+	190.98991	135.9
[M]-	190.99101	135.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe