CID 9589051

Brn 4248125

Structural Information

Molecular Formula
C9H9ClN2O
SMILES
C/C(=N\NC=O)/C1=CC=CC=C1Cl
InChI
InChI=1S/C9H9ClN2O/c1-7(12-11-6-13)8-4-2-3-5-9(8)10/h2-6H,1H3,(H,11,13)/b12-7+
InChIKey
DFGSJBMADDOJCE-KPKJPENVSA-N
Compound name
N-[(E)-1-(2-chlorophenyl)ethylideneamino]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.04034 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.04762 139.9
[M+Na]+ 219.02956 148.1
[M-H]- 195.03306 145.0
[M+NH4]+ 214.07416 160.3
[M+K]+ 235.00350 144.7
[M+H-H2O]+ 179.03760 134.4
[M+HCOO]- 241.03854 163.1
[M+CH3COO]- 255.05419 189.0
[M+Na-2H]- 217.01501 146.7
[M]+ 196.03979 142.0
[M]- 196.04089 142.0
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.