CID 9589051

133661-90-2

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]+ 197.047616 139.9
[M+Na]+ 219.029558 148.1
[M-H]- 195.033064 145.0
[M+NH4]+ 214.074163 160.3
[M+K]+ 235.003498 144.7
[M+H-H2O]+ 179.037600 134.4
[M+HCOO]- 241.038541 163.1
[M+CH3COO]- 255.054191 189.0
[M+Na-2H]- 217.015006 146.7
[M]+ 196.03979142 142.0
[M]- 196.04088858 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.