CID 19937167

5-fluorobenzoxazole

Structural Information

Molecular Formula
C7H4FNO
SMILES
C1=CC2=C(C=C1F)N=CO2
InChI
InChI=1S/C7H4FNO/c8-5-1-2-7-6(3-5)9-4-10-7/h1-4H
InChIKey
ZRMPAEOUOPNNPZ-UHFFFAOYSA-N
Compound name
5-fluoro-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1083
Patents

137.0277 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.034976 118.5
[M+Na]+ 160.016918 130.5
[M-H]- 136.020424 122.2
[M+NH4]+ 155.061523 141.0
[M+K]+ 175.990858 129.2
[M+H-H2O]+ 120.024960 112.2
[M+HCOO]- 182.025901 143.0
[M+CH3COO]- 196.041551 134.5
[M+Na-2H]- 158.002366 129.1
[M]+ 137.02715142 120.7
[M]- 137.02824858 120.7
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