CID 2782380

1-iodo-1h,1h-perfluorohexane

Structural Information

Molecular Formula
C6H2F11I
SMILES
C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)I
InChI
InChI=1S/C6H2F11I/c7-2(8,1-18)3(9,10)4(11,12)5(13,14)6(15,16)17/h1H2
InChIKey
NVPYUCSZZRWYML-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5-undecafluoro-6-iodohexane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

409.90256 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.90984 157.8
[M+Na]+ 432.89178 160.8
[M-H]- 408.89528 140.4
[M+NH4]+ 427.93638 167.8
[M+K]+ 448.86572 163.5
[M+H-H2O]+ 392.89982 143.1
[M+HCOO]- 454.90076 158.3
[M+CH3COO]- 468.91641 211.3
[M+Na-2H]- 430.87723 150.9
[M]+ 409.90201 139.8
[M]- 409.90311 139.8
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