CID 482247

2-(2,4-dichlorophenyl)-6-methyl-1,3-benzoxazole

Structural Information

Molecular Formula
C14H9Cl2NO
SMILES
CC1=CC2=C(C=C1)N=C(O2)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C14H9Cl2NO/c1-8-2-5-12-13(6-8)18-14(17-12)10-4-3-9(15)7-11(10)16/h2-7H,1H3
InChIKey
RFRRSDBGBRWHCD-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenyl)-6-methyl-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

277.00613 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.01341 158.5
[M+Na]+ 299.99535 172.5
[M-H]- 275.99885 165.8
[M+NH4]+ 295.03995 176.8
[M+K]+ 315.96929 166.3
[M+H-H2O]+ 260.00339 152.2
[M+HCOO]- 322.00433 172.8
[M+CH3COO]- 336.01998 172.4
[M+Na-2H]- 297.98080 163.9
[M]+ 277.00558 165.9
[M]- 277.00668 165.9
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

No patent data available for this compound.