CID 13802841

N-(4-chlorobenzylidene)-5-methyl-3-isoxazolamine

Structural Information

Molecular Formula
C11H9ClN2O
SMILES
CC1=CC(=NO1)N=CC2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H9ClN2O/c1-8-6-11(14-15-8)13-7-9-2-4-10(12)5-3-9/h2-7H,1H3
InChIKey
CZIIIUGHTWDINI-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.04034 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.04762 146.6
[M+Na]+ 243.02956 157.1
[M-H]- 219.03306 154.4
[M+NH4]+ 238.07416 165.6
[M+K]+ 259.00350 153.7
[M+H-H2O]+ 203.03760 139.5
[M+HCOO]- 265.03854 168.7
[M+CH3COO]- 279.05419 189.5
[M+Na-2H]- 241.01501 153.1
[M]+ 220.03979 151.0
[M]- 220.04089 151.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.