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]+ 182.04234 130.5
[M+Na]+ 204.02428 139.9
[M-H]- 180.02778 128.8
[M+NH4]+ 199.06888 149.1
[M+K]+ 219.99822 139.5
[M+H-H2O]+ 164.03232 122.9
[M+HCOO]- 226.03326 147.7
[M+CH3COO]- 240.04891 176.3
[M+Na-2H]- 202.00973 135.5
[M]+ 181.03451 127.6
[M]- 181.03561 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.