CID 2776142

376-32-9

Structural Information

Molecular Formula
C7H3F12I
SMILES
C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I
InChI
InChI=1S/C7H3F12I/c8-2(9)4(12,13)6(16,17)7(18,19)5(14,15)3(10,11)1-20/h2H,1H2
InChIKey
SSWJUMWKQPCAEB-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-iodoheptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

441.90878 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.91606 163.7
[M+Na]+ 464.89800 166.1
[M-H]- 440.90150 145.2
[M+NH4]+ 459.94260 172.2
[M+K]+ 480.87194 168.6
[M+H-H2O]+ 424.90604 148.2
[M+HCOO]- 486.90698 162.1
[M+CH3COO]- 500.92263 217.9
[M+Na-2H]- 462.88345 154.9
[M]+ 441.90823 144.1
[M]- 441.90933 144.1
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