CID 56843177

Potassium 5-chloro-2-methylphenyl-n-nitrosoamide

Structural Information

Molecular Formula
C7H7ClN2O
SMILES
CC1=C(C=C(C=C1)Cl)NN=O
InChI
InChI=1S/C7H7ClN2O/c1-5-2-3-6(8)4-7(5)9-10-11/h2-4H,1H3,(H,9,11)
InChIKey
HZKFYDQORAEHOB-UHFFFAOYSA-N
Compound name
N-(5-chloro-2-methylphenyl)nitrous amide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.02469 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.031966 130.9
[M+Na]+ 193.013908 140.7
[M-H]- 169.017414 136.5
[M+NH4]+ 188.058513 152.7
[M+K]+ 208.987848 138.0
[M+H-H2O]+ 153.021950 125.8
[M+HCOO]- 215.022891 155.5
[M+CH3COO]- 229.038541 184.8
[M+Na-2H]- 190.999356 139.2
[M]+ 170.02414142 133.9
[M]- 170.02523858 133.9
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

No patent data available for this compound.