CID 18485

2-(3,4-dichlorophenyl)benzoxazole

Structural Information

Molecular Formula
C13H7Cl2NO
SMILES
C1=CC=C2C(=C1)N=C(O2)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C13H7Cl2NO/c14-9-6-5-8(7-10(9)15)13-16-11-3-1-2-4-12(11)17-13/h1-7H
InChIKey
DSLOEULHWIEJEX-UHFFFAOYSA-N
Compound name
2-(3,4-dichlorophenyl)-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

262.99048 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.99776 153.6
[M+Na]+ 285.97970 167.1
[M-H]- 261.98320 160.7
[M+NH4]+ 281.02430 172.2
[M+K]+ 301.95364 161.2
[M+H-H2O]+ 245.98774 147.3
[M+HCOO]- 307.98868 168.2
[M+CH3COO]- 322.00433 167.6
[M+Na-2H]- 283.96515 160.3
[M]+ 262.98993 160.3
[M]- 262.99103 160.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe