CID 145915785

4-(chloromethyl)-3-(trifluoromethyl)-1,2-oxazole

Structural Information

Molecular Formula
C5H3ClF3NO
SMILES
C1=C(C(=NO1)C(F)(F)F)CCl
InChI
InChI=1S/C5H3ClF3NO/c6-1-3-2-11-10-4(3)5(7,8)9/h2H,1H2
InChIKey
OEJRYGDATDXXIT-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-3-(trifluoromethyl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.98552 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.99280 127.7
[M+Na]+ 207.97474 139.0
[M-H]- 183.97824 127.2
[M+NH4]+ 203.01934 147.8
[M+K]+ 223.94868 136.8
[M+H-H2O]+ 167.98278 120.6
[M+HCOO]- 229.98372 142.9
[M+CH3COO]- 243.99937 176.9
[M+Na-2H]- 205.96019 134.4
[M]+ 184.98497 127.4
[M]- 184.98607 127.4
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

No patent data available for this compound.