CID 482245

2-(2-fluorophenyl)-6-methyl-1,3-benzoxazole

Structural Information

Molecular Formula
C14H10FNO
SMILES
CC1=CC2=C(C=C1)N=C(O2)C3=CC=CC=C3F
InChI
InChI=1S/C14H10FNO/c1-9-6-7-12-13(8-9)17-14(16-12)10-4-2-3-5-11(10)15/h2-8H,1H3
InChIKey
BGUXXZXQWKJTAG-UHFFFAOYSA-N
Compound name
2-(2-fluorophenyl)-6-methyl-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

227.07465 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.08193 146.0
[M+Na]+ 250.06387 158.2
[M-H]- 226.06737 153.0
[M+NH4]+ 245.10847 164.9
[M+K]+ 266.03781 154.3
[M+H-H2O]+ 210.07191 138.0
[M+HCOO]- 272.07285 169.4
[M+CH3COO]- 286.08850 160.5
[M+Na-2H]- 248.04932 153.3
[M]+ 227.07410 148.8
[M]- 227.07520 148.8
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.