CID 25220798

1185092-07-2

Structural Information

Molecular Formula
C10H9FN2O
SMILES
C1=CC(=CC=C1C2=NOC(=C2)CN)F
InChI
InChI=1S/C10H9FN2O/c11-8-3-1-7(2-4-8)10-5-9(6-12)14-13-10/h1-5H,6,12H2
InChIKey
YUGXVCNCLFEENW-UHFFFAOYSA-N
Compound name
[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

192.06989 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.077166 137.5
[M+Na]+ 215.059108 147.0
[M-H]- 191.062614 142.5
[M+NH4]+ 210.103713 155.9
[M+K]+ 231.033048 144.7
[M+H-H2O]+ 175.067150 129.6
[M+HCOO]- 237.068091 161.5
[M+CH3COO]- 251.083741 183.6
[M+Na-2H]- 213.044556 143.4
[M]+ 192.06934142 136.6
[M]- 192.07043858 136.6
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