CID 2775195

120695-78-5

Structural Information

Molecular Formula
C6F11I
SMILES
C(=C(/C(F)(F)I)\F)(\C(C(F)(F)F)(C(F)(F)F)F)/F
InChI
InChI=1S/C6F11I/c7-1(2(8)4(10,11)18)3(9,5(12,13)14)6(15,16)17/b2-1+
InChIKey
BJZGOHYMGKSXBU-OWOJBTEDSA-N
Compound name
(E)-1,1,2,3,4,5,5,5-octafluoro-1-iodo-4-(trifluoromethyl)pent-2-ene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

407.8869 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.89418 152.6
[M+Na]+ 430.87612 155.3
[M-H]- 406.87962 134.9
[M+NH4]+ 425.92072 162.6
[M+K]+ 446.85006 157.8
[M+H-H2O]+ 390.88416 137.8
[M+HCOO]- 452.88510 153.1
[M+CH3COO]- 466.90075 209.8
[M+Na-2H]- 428.86157 142.9
[M]+ 407.88635 133.4
[M]- 407.88745 133.4
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.