CID 13129973

4-chloro-n-ethyl-n-nitrosobenzenamine

Structural Information

Molecular Formula
C8H9ClN2O
SMILES
CCN(C1=CC=C(C=C1)Cl)N=O
InChI
InChI=1S/C8H9ClN2O/c1-2-11(10-12)8-5-3-7(9)4-6-8/h3-6H,2H2,1H3
InChIKey
KMQRJEAIHLLXDW-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-N-ethylnitrous amide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

184.04034 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.047616 135.8
[M+Na]+ 207.029558 144.4
[M-H]- 183.033064 142.4
[M+NH4]+ 202.074163 157.3
[M+K]+ 223.003498 142.8
[M+H-H2O]+ 167.037600 130.0
[M+HCOO]- 229.038541 160.5
[M+CH3COO]- 243.054191 190.2
[M+Na-2H]- 205.015006 143.5
[M]+ 184.03979142 140.1
[M]- 184.04088858 140.1
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