CID 16443300

161144-75-8

Structural Information

Molecular Formula
C5H4F3NO
SMILES
CC1=NOC(=C1)C(F)(F)F
InChI
InChI=1S/C5H4F3NO/c1-3-2-4(10-9-3)5(6,7)8/h2H,1H3
InChIKey
BZKMEDLXICLGEE-UHFFFAOYSA-N
Compound name
3-methyl-5-(trifluoromethyl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

151.0245 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.03178 121.7
[M+Na]+ 174.01372 132.4
[M-H]- 150.01722 121.5
[M+NH4]+ 169.05832 142.4
[M+K]+ 189.98766 132.3
[M+H-H2O]+ 134.02176 114.3
[M+HCOO]- 196.02270 141.6
[M+CH3COO]- 210.03835 173.0
[M+Na-2H]- 171.99917 129.0
[M]+ 151.02395 119.7
[M]- 151.02505 119.7
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