CID 11458249

80061-95-6

Structural Information

Molecular Formula
C10H10ClNO
SMILES
C1C(ON=C1CCl)C2=CC=CC=C2
InChI
InChI=1S/C10H10ClNO/c11-7-9-6-10(13-12-9)8-4-2-1-3-5-8/h1-5,10H,6-7H2
InChIKey
NFPOZCYAWVJLAF-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-5-phenyl-4,5-dihydro-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

195.04509 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.05237 139.5
[M+Na]+ 218.03431 148.5
[M-H]- 194.03781 145.3
[M+NH4]+ 213.07891 158.8
[M+K]+ 234.00825 145.5
[M+H-H2O]+ 178.04235 133.0
[M+HCOO]- 240.04329 157.8
[M+CH3COO]- 254.05894 153.3
[M+Na-2H]- 216.01976 145.6
[M]+ 195.04454 141.3
[M]- 195.04564 141.3
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

patents stripe