CID 20157013

2,5,7-trichloro-1,3-benzoxazole

Structural Information

Molecular Formula
C7H2Cl3NO
SMILES
C1=C(C=C(C2=C1N=C(O2)Cl)Cl)Cl
InChI
InChI=1S/C7H2Cl3NO/c8-3-1-4(9)6-5(2-3)11-7(10)12-6/h1-2H
InChIKey
PWYDOMHIKFHJIW-UHFFFAOYSA-N
Compound name
2,5,7-trichloro-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

220.9202 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.92748 137.4
[M+Na]+ 243.90942 154.6
[M+NH4]+ 238.95402 147.4
[M+K]+ 259.88336 147.9
[M-H]- 219.91292 140.7
[M+Na-2H]- 241.89487 144.7
[M]+ 220.91965 141.9
[M]- 220.92075 141.9
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