CID 482240

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

Structural Information

Molecular Formula
C14H10FNO
SMILES
CC1=CC2=C(C=C1)OC(=N2)C3=CC=CC=C3F
InChI
InChI=1S/C14H10FNO/c1-9-6-7-13-12(8-9)16-14(17-13)10-4-2-3-5-11(10)15/h2-8H,1H3
InChIKey
PKNBDFKYAUGLID-UHFFFAOYSA-N
Compound name
2-(2-fluorophenyl)-5-methyl-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
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

literature stripe

Patent stripe

patents stripe