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

2
Patents

184.04034 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.04762 135.8
[M+Na]+ 207.02956 144.4
[M-H]- 183.03306 142.4
[M+NH4]+ 202.07416 157.3
[M+K]+ 223.00350 142.8
[M+H-H2O]+ 167.03760 130.0
[M+HCOO]- 229.03854 160.5
[M+CH3COO]- 243.05419 190.2
[M+Na-2H]- 205.01501 143.5
[M]+ 184.03979 140.1
[M]- 184.04089 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