CID 12294037

2-(perfluoropropyl)benzoxazole

Structural Information

Molecular Formula
C10H4F7NO
SMILES
C1=CC=C2C(=C1)N=C(O2)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H4F7NO/c11-8(12,9(13,14)10(15,16)17)7-18-5-3-1-2-4-6(5)19-7/h1-4H
InChIKey
XYLBYDIMNSLGEL-UHFFFAOYSA-N
Compound name
2-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

287.0181 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.02538 152.1
[M+Na]+ 310.00732 164.1
[M-H]- 286.01082 148.1
[M+NH4]+ 305.05192 168.0
[M+K]+ 325.98126 160.8
[M+H-H2O]+ 270.01536 141.2
[M+HCOO]- 332.01630 163.9
[M+CH3COO]- 346.03195 197.9
[M+Na-2H]- 307.99277 159.7
[M]+ 287.01755 146.0
[M]- 287.01865 146.0
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.