CID 56843011

Sodium 5-chloro-2-methoxyphenyl-n-nitrosoamide

Structural Information

Molecular Formula
C7H7ClN2O2
SMILES
COC1=C(C=C(C=C1)Cl)NN=O
InChI
InChI=1S/C7H7ClN2O2/c1-12-7-3-2-5(8)4-6(7)9-10-11/h2-4H,1H3,(H,9,11)
InChIKey
ZQMDDCQHBFNABH-UHFFFAOYSA-N
Compound name
N-(5-chloro-2-methoxyphenyl)nitrous amide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.0196 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.026876 133.5
[M+Na]+ 209.008818 143.3
[M-H]- 185.012324 139.2
[M+NH4]+ 204.053423 154.6
[M+K]+ 224.982758 141.1
[M+H-H2O]+ 169.016860 128.2
[M+HCOO]- 231.017801 158.4
[M+CH3COO]- 245.033451 186.9
[M+Na-2H]- 206.994266 141.9
[M]+ 186.01905142 138.0
[M]- 186.02014858 138.0
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.