CID 71345448

144006-68-8

Structural Information

Molecular Formula
C12H9F7O
SMILES
C1C(O1)CC2=CC=C(C=C2)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H9F7O/c13-10(14,11(15,16)12(17,18)19)8-3-1-7(2-4-8)5-9-6-20-9/h1-4,9H,5-6H2
InChIKey
CEXDSECOBNBQNX-UHFFFAOYSA-N
Compound name
2-[[4-(1,1,2,2,3,3,3-heptafluoropropyl)phenyl]methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

302.05417 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.06145 147.2
[M+Na]+ 325.04339 157.1
[M-H]- 301.04689 146.7
[M+NH4]+ 320.08799 156.2
[M+K]+ 341.01733 153.9
[M+H-H2O]+ 285.05143 135.0
[M+HCOO]- 347.05237 158.5
[M+CH3COO]- 361.06802 204.9
[M+Na-2H]- 323.02884 153.3
[M]+ 302.05362 141.5
[M]- 302.05472 141.5
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.