CID 102103663

1-ethenyl-4-(nonafluorobutyl)benzene

Structural Information

Molecular Formula
C12H7F9
SMILES
C=CC1=CC=C(C=C1)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H7F9/c1-2-7-3-5-8(6-4-7)9(13,14)10(15,16)11(17,18)12(19,20)21/h2-6H,1H2
InChIKey
ZGUIRKVONJNPDU-UHFFFAOYSA-N
Compound name
1-ethenyl-4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

322.0404 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.04768 162.0
[M+Na]+ 345.02962 171.6
[M-H]- 321.03312 154.8
[M+NH4]+ 340.07422 175.9
[M+K]+ 361.00356 166.4
[M+H-H2O]+ 305.03766 149.8
[M+HCOO]- 367.03860 169.6
[M+CH3COO]- 381.05425 207.7
[M+Na-2H]- 343.01507 165.5
[M]+ 322.03985 148.6
[M]- 322.04095 148.6
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