CID 17229122

4-(3-chlorophenyl)-3-methyl-2,5-dihydro-1,2-oxazol-5-imine

Structural Information

Molecular Formula
C10H9ClN2O
SMILES
CC1=NOC(=C1C2=CC(=CC=C2)Cl)N
InChI
InChI=1S/C10H9ClN2O/c1-6-9(10(12)14-13-6)7-3-2-4-8(11)5-7/h2-5H,12H2,1H3
InChIKey
FPZYVCHIGUSBEM-UHFFFAOYSA-N
Compound name
4-(3-chlorophenyl)-3-methyl-1,2-oxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.04034 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.047616 143.3
[M+Na]+ 231.029558 154.4
[M-H]- 207.033064 149.8
[M+NH4]+ 226.074163 162.2
[M+K]+ 247.003498 150.6
[M+H-H2O]+ 191.037600 137.0
[M+HCOO]- 253.038541 163.5
[M+CH3COO]- 267.054191 157.6
[M+Na-2H]- 229.015006 148.3
[M]+ 208.03979142 145.8
[M]- 208.04088858 145.8
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.