CID 71335486

1-ethenyl-4-(2,2,3,3,4,4,4-heptafluorobutoxy)benzene

Structural Information

Molecular Formula
C12H9F7O
SMILES
C=CC1=CC=C(C=C1)OCC(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H9F7O/c1-2-8-3-5-9(6-4-8)20-7-10(13,14)11(15,16)12(17,18)19/h2-6H,1,7H2
InChIKey
IPXALQQGEQVBSM-UHFFFAOYSA-N
Compound name
1-ethenyl-4-(2,2,3,3,4,4,4-heptafluorobutoxy)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

302.05417 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.06145 159.6
[M+Na]+ 325.04339 168.7
[M-H]- 301.04689 154.4
[M+NH4]+ 320.08799 174.5
[M+K]+ 341.01733 164.3
[M+H-H2O]+ 285.05143 148.5
[M+HCOO]- 347.05237 171.2
[M+CH3COO]- 361.06802 203.2
[M+Na-2H]- 323.02884 163.5
[M]+ 302.05362 151.1
[M]- 302.05472 151.1
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

patents stripe