CID 42281868

1327645-29-3

Structural Information

Molecular Formula
C10H9FN2O
SMILES
C1=CC(=CC=C1C2=CC(=NO2)CN)F
InChI
InChI=1S/C10H9FN2O/c11-8-3-1-7(2-4-8)10-5-9(6-12)13-14-10/h1-5H,6,12H2
InChIKey
WQLAWLKPAPOQLF-UHFFFAOYSA-N
Compound name
[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

192.06989 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.07717 137.5
[M+Na]+ 215.05911 147.0
[M-H]- 191.06261 142.5
[M+NH4]+ 210.10371 155.9
[M+K]+ 231.03305 144.7
[M+H-H2O]+ 175.06715 129.6
[M+HCOO]- 237.06809 161.5
[M+CH3COO]- 251.08374 183.6
[M+Na-2H]- 213.04456 143.4
[M]+ 192.06934 136.6
[M]- 192.07044 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

No literature data available for this compound.

Patent stripe

patents stripe