CID 12751148

(4e)-1,1,1,2,2,3,3,6,6,7,7,8,8,8-tetradecafluorooct-4-ene

Structural Information

Molecular Formula
C8H2F14
SMILES
C(=C/C(C(C(F)(F)F)(F)F)(F)F)\C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H2F14/c9-3(10,5(13,14)7(17,18)19)1-2-4(11,12)6(15,16)8(20,21)22/h1-2H/b2-1+
InChIKey
NIJFGUAYRFPTBD-OWOJBTEDSA-N
Compound name
(E)-1,1,1,2,2,3,3,6,6,7,7,8,8,8-tetradecafluorooct-4-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

337
Patents

363.9933 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.000576 167.1
[M+Na]+ 386.982518 176.9
[M-H]- 362.986024 152.4
[M+NH4]+ 382.027123 178.6
[M+K]+ 402.956458 172.9
[M+H-H2O]+ 346.990560 153.2
[M+HCOO]- 408.991501 166.6
[M+CH3COO]- 423.007151 214.6
[M+Na-2H]- 384.967966 169.7
[M]+ 363.99275142 144.9
[M]- 363.99384858 144.9
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