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

literature stripe

Patent stripe

patents stripe