CID 486290

62693-29-2

Structural Information

Molecular Formula
C10H6F3NO2
SMILES
C1=CC=C2C(=C1)N=C(O2)CC(=O)C(F)(F)F
InChI
InChI=1S/C10H6F3NO2/c11-10(12,13)8(15)5-9-14-6-3-1-2-4-7(6)16-9/h1-4H,5H2
InChIKey
OWVYBMYMYZKXOR-UHFFFAOYSA-N
Compound name
3-(1,3-benzoxazol-2-yl)-1,1,1-trifluoropropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

1
Patents

229.03506 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.04234 142.0
[M+Na]+ 252.02428 153.1
[M-H]- 228.02778 142.8
[M+NH4]+ 247.06888 160.4
[M+K]+ 267.99822 150.9
[M+H-H2O]+ 212.03232 133.7
[M+HCOO]- 274.03326 161.0
[M+CH3COO]- 288.04891 187.1
[M+Na-2H]- 250.00973 149.2
[M]+ 229.03451 142.4
[M]- 229.03561 142.4
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