CID 97046977

1159981-78-8

Structural Information

Molecular Formula
C10H7Cl2NO2
SMILES
C1=CC(=C(C=C1Cl)C2=NOC(=C2)CO)Cl
InChI
InChI=1S/C10H7Cl2NO2/c11-6-1-2-9(12)8(3-6)10-4-7(5-14)15-13-10/h1-4,14H,5H2
InChIKey
WQGKMIWAISURFM-UHFFFAOYSA-N
Compound name
[3-(2,5-dichlorophenyl)-1,2-oxazol-5-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.98538 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.99266 147.1
[M+Na]+ 265.97460 162.9
[M+NH4]+ 261.01920 155.9
[M+K]+ 281.94854 157.2
[M-H]- 241.97810 151.2
[M+Na-2H]- 263.96005 154.7
[M]+ 242.98483 151.2
[M]- 242.98593 151.2
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.