CID 138396394

Dtxsid90896373

Structural Information

Molecular Formula
C10F11N
SMILES
C(#N)C1=C(C(=C(C(=C1F)F)C(C(F)(F)F)(C(F)(F)F)F)F)F
InChI
InChI=1S/C10F11N/c11-4-2(1-22)5(12)7(14)3(6(4)13)8(15,9(16,17)18)10(19,20)21
InChIKey
LQGVLRSSQVWQGC-UHFFFAOYSA-N
Compound name
2,3,5,6-tetrafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

342.9855 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.99278 152.5
[M+Na]+ 365.97472 165.5
[M-H]- 341.97822 144.4
[M+NH4]+ 361.01932 164.4
[M+K]+ 381.94866 161.4
[M+H-H2O]+ 325.98276 133.8
[M+HCOO]- 387.98370 158.3
[M+CH3COO]- 401.99935 221.8
[M+Na-2H]- 363.96017 152.7
[M]+ 342.98495 134.4
[M]- 342.98605 134.4
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.