CID 135429331

Schembl6448608

Structural Information

Molecular Formula
C14H8Cl2N2O2
SMILES
C1=CC=NC(=C1)C2=CC(=NO2)C3=C(C(=CC(=C3)Cl)Cl)O
InChI
InChI=1S/C14H8Cl2N2O2/c15-8-5-9(14(19)10(16)6-8)12-7-13(20-18-12)11-3-1-2-4-17-11/h1-7,19H
InChIKey
NRWXRVGPFZEKIW-UHFFFAOYSA-N
Compound name
2,4-dichloro-6-(5-pyridin-2-yl-1,2-oxazol-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

305.99628 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.00356 164.7
[M+Na]+ 328.98550 176.7
[M-H]- 304.98900 171.3
[M+NH4]+ 324.03010 178.1
[M+K]+ 344.95944 170.5
[M+H-H2O]+ 288.99354 156.5
[M+HCOO]- 350.99448 176.3
[M+CH3COO]- 365.01013 176.7
[M+Na-2H]- 326.97095 168.0
[M]+ 305.99573 169.3
[M]- 305.99683 169.3
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