CID 16217813

5-(4-fluorophenyl)isoxazole-3-carboxaldehyde

Structural Information

Molecular Formula
C10H6FNO2
SMILES
C1=CC(=CC=C1C2=CC(=NO2)C=O)F
InChI
InChI=1S/C10H6FNO2/c11-8-3-1-7(2-4-8)10-5-9(6-13)12-14-10/h1-6H
InChIKey
ZCVSOFHLCCVOJD-UHFFFAOYSA-N
Compound name
5-(4-fluorophenyl)-1,2-oxazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

52
Patents

191.03825 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.04553 134.6
[M+Na]+ 214.02747 145.2
[M-H]- 190.03097 140.2
[M+NH4]+ 209.07207 153.5
[M+K]+ 230.00141 143.3
[M+H-H2O]+ 174.03551 127.0
[M+HCOO]- 236.03645 158.6
[M+CH3COO]- 250.05210 180.7
[M+Na-2H]- 212.01292 141.1
[M]+ 191.03770 136.1
[M]- 191.03880 136.1
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