CID 401566

Nsc715261

Structural Information

Molecular Formula
C14H10ClNO
SMILES
C1=CC=C2C(=C1)N=C(O2)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C14H10ClNO/c15-11-7-5-10(6-8-11)9-14-16-12-3-1-2-4-13(12)17-14/h1-8H,9H2
InChIKey
VMQKODHMSRWEMH-UHFFFAOYSA-N
Compound name
2-[(4-chlorophenyl)methyl]-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5
Patents

243.04509 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.05237 150.9
[M+Na]+ 266.03431 162.8
[M-H]- 242.03781 158.5
[M+NH4]+ 261.07891 169.7
[M+K]+ 282.00825 157.8
[M+H-H2O]+ 226.04235 143.9
[M+HCOO]- 288.04329 170.6
[M+CH3COO]- 302.05894 165.1
[M+Na-2H]- 264.01976 158.8
[M]+ 243.04454 156.4
[M]- 243.04564 156.4
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.