CID 155943987

2-chloro-4,5,6-trifluoro-1,3-benzoxazole

Structural Information

Molecular Formula
C7HClF3NO
SMILES
C1=C2C(=C(C(=C1F)F)F)N=C(O2)Cl
InChI
InChI=1S/C7HClF3NO/c8-7-12-6-3(13-7)1-2(9)4(10)5(6)11/h1H
InChIKey
SYUWQUYMNWKBFB-UHFFFAOYSA-N
Compound name
2-chloro-4,5,6-trifluoro-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.96988 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.97716 129.8
[M+Na]+ 229.95910 145.3
[M-H]- 205.96260 131.4
[M+NH4]+ 225.00370 150.9
[M+K]+ 245.93304 141.1
[M+H-H2O]+ 189.96714 122.7
[M+HCOO]- 251.96808 147.3
[M+CH3COO]- 265.98373 145.1
[M+Na-2H]- 227.94455 136.5
[M]+ 206.96933 132.8
[M]- 206.97043 132.8
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.