CID 5324520

4,6-dichloro-3-methyl-[1,2]oxazolo[4,5-c]pyridine

Structural Information

Molecular Formula
C7H4Cl2N2O
SMILES
CC1=NOC2=CC(=NC(=C12)Cl)Cl
InChI
InChI=1S/C7H4Cl2N2O/c1-3-6-4(12-11-3)2-5(8)10-7(6)9/h2H,1H3
InChIKey
HNNVOZJYSIWIJM-UHFFFAOYSA-N
Compound name
4,6-dichloro-3-methyl-[1,2]oxazolo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

201.97006 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.97734 134.9
[M+Na]+ 224.95928 149.3
[M-H]- 200.96278 137.7
[M+NH4]+ 220.00388 154.9
[M+K]+ 240.93322 145.2
[M+H-H2O]+ 184.96732 129.4
[M+HCOO]- 246.96826 148.6
[M+CH3COO]- 260.98391 149.7
[M+Na-2H]- 222.94473 142.6
[M]+ 201.96951 141.8
[M]- 201.97061 141.8
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

patents stripe