CID 71414201

[1,2-difluoro-2-(heptafluoropropoxy)ethenyl]benzene

Structural Information

Molecular Formula
C11H5F9O
SMILES
C1=CC=C(C=C1)C(=C(OC(C(C(F)(F)F)(F)F)(F)F)F)F
InChI
InChI=1S/C11H5F9O/c12-7(6-4-2-1-3-5-6)8(13)21-11(19,20)9(14,15)10(16,17)18/h1-5H
InChIKey
FVBNTOULJJXFBP-UHFFFAOYSA-N
Compound name
[1,2-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethenyl]benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

324.01965 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.02693 160.0
[M+Na]+ 347.00887 168.3
[M-H]- 323.01237 152.3
[M+NH4]+ 342.05347 173.3
[M+K]+ 362.98281 164.2
[M+H-H2O]+ 307.01691 147.3
[M+HCOO]- 369.01785 167.9
[M+CH3COO]- 383.03350 205.8
[M+Na-2H]- 344.99432 161.6
[M]+ 324.01910 146.7
[M]- 324.02020 146.7
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.