CID 162345575

2,3,3,4,4,5,5,6,6,7,7,7-dodecafluorohept-1-ene

Structural Information

Molecular Formula
C7H2F12
SMILES
C=C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C7H2F12/c1-2(8)3(9,10)4(11,12)5(13,14)6(15,16)7(17,18)19/h1H2
InChIKey
VWKYSLFPQDORIV-UHFFFAOYSA-N
Compound name
2,3,3,4,4,5,5,6,6,7,7,7-dodecafluorohept-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.9965 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.00378 153.6
[M+Na]+ 336.98572 163.1
[M-H]- 312.98922 140.5
[M+NH4]+ 332.03032 167.1
[M+K]+ 352.95966 159.9
[M+H-H2O]+ 296.99376 141.1
[M+HCOO]- 358.99470 155.8
[M+CH3COO]- 373.01035 207.2
[M+Na-2H]- 334.97117 155.9
[M]+ 313.99595 134.2
[M]- 313.99705 134.2
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.