CID 2736614

1-chloro-6-iodoperfluorohexane

Structural Information

Molecular Formula
C6ClF12I
SMILES
C(C(C(C(F)(F)I)(F)F)(F)F)(C(C(F)(F)Cl)(F)F)(F)F
InChI
InChI=1S/C6ClF12I/c7-5(16,17)3(12,13)1(8,9)2(10,11)4(14,15)6(18,19)20
InChIKey
MKLCOZPKBKKNKG-UHFFFAOYSA-N
Compound name
1-chloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-iodohexane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1
Patents

461.85416 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.86144 161.0
[M+Na]+ 484.84338 165.1
[M-H]- 460.84688 143.4
[M+NH4]+ 479.88798 169.8
[M+K]+ 500.81732 165.8
[M+H-H2O]+ 444.85142 146.6
[M+HCOO]- 506.85236 155.6
[M+CH3COO]- 520.86801 218.4
[M+Na-2H]- 482.82883 155.0
[M]+ 461.85361 143.1
[M]- 461.85471 143.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe