CID 13640

937-23-5

Structural Information

Molecular Formula

C₇H₇BrN₂O

SMILES

CN(C1=CC=C(C=C1)Br)N=O

InChI

InChI=1S/C7H7BrN2O/c1-10(9-11)7-4-2-6(8)3-5-7/h2-5H,1H3

InChIKey

ALPCWHBDOURDHG-UHFFFAOYSA-N

Compound name

N-(4-bromophenyl)-N-methylnitrous amide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 213.97418 Da
Monoisotopic Mass: 2.4
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]+	214.981456	133.4
[M+Na]+	236.963398	144.6
[M-H]-	212.966904	142.5
[M+NH4]+	232.008003	156.2
[M+K]+	252.937338	135.6
[M+H-H2O]+	196.971440	132.1
[M+HCOO]-	258.972381	160.1
[M+CH3COO]-	272.988031	193.2
[M+Na-2H]-	234.948846	143.1
[M]+	213.97363142	153.6
[M]-	213.97472858	153.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe