CID 482238

2-(2-chlorophenyl)-5-methyl-1,3-benzoxazole

Structural Information

Molecular Formula
C14H10ClNO
SMILES
CC1=CC2=C(C=C1)OC(=N2)C3=CC=CC=C3Cl
InChI
InChI=1S/C14H10ClNO/c1-9-6-7-13-12(8-9)16-14(17-13)10-4-2-3-5-11(10)15/h2-8H,1H3
InChIKey
CLKPHBXFLWSHQO-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)-5-methyl-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

2
Patents

243.04509 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.05237 151.0
[M+Na]+ 266.03431 163.9
[M-H]- 242.03781 159.0
[M+NH4]+ 261.07891 170.1
[M+K]+ 282.00825 158.9
[M+H-H2O]+ 226.04235 144.3
[M+HCOO]- 288.04329 170.7
[M+CH3COO]- 302.05894 165.6
[M+Na-2H]- 264.01976 158.2
[M]+ 243.04454 157.0
[M]- 243.04564 157.0
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.