CID 73985454

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

Structural Information

Molecular Formula
C7H2F12
SMILES
C(=CC(F)(F)F)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H2F12/c8-3(9,1-2-4(10,11)12)5(13,14)6(15,16)7(17,18)19/h1-2H
InChIKey
JSQOTUOXUHPDPI-UHFFFAOYSA-N
Compound name
1,1,1,4,4,5,5,6,6,7,7,7-dodecafluorohept-2-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

204
Patents

313.9965 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.00378 155.6
[M+Na]+ 336.98572 165.3
[M-H]- 312.98922 142.4
[M+NH4]+ 332.03032 169.2
[M+K]+ 352.95966 161.7
[M+H-H2O]+ 296.99376 142.9
[M+HCOO]- 358.99470 158.7
[M+CH3COO]- 373.01035 205.3
[M+Na-2H]- 334.97117 158.8
[M]+ 313.99595 136.6
[M]- 313.99705 136.6
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