CID 138007654

2243508-79-2

Structural Information

Molecular Formula
C6H6F3NO2
SMILES
CC1=CN=C(O1)C(C(F)(F)F)O
InChI
InChI=1S/C6H6F3NO2/c1-3-2-10-5(12-3)4(11)6(7,8)9/h2,4,11H,1H3
InChIKey
NTSLSUYMHREDSC-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-(5-methyl-1,3-oxazol-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.03506 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.042336 130.5
[M+Na]+ 204.024278 139.9
[M-H]- 180.027784 128.8
[M+NH4]+ 199.068883 149.1
[M+K]+ 219.998218 139.5
[M+H-H2O]+ 164.032320 122.9
[M+HCOO]- 226.033261 147.7
[M+CH3COO]- 240.048911 176.3
[M+Na-2H]- 202.009726 135.5
[M]+ 181.03451142 127.6
[M]- 181.03560858 127.6
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

No patent data available for this compound.