CID 109697

1,1,1,2,2,3,3-heptafluoro-5-iodopentane

Structural Information

Molecular Formula
C5H4F7I
SMILES
C(CI)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C5H4F7I/c6-3(7,1-2-13)4(8,9)5(10,11)12/h1-2H2
InChIKey
TZNRRNKRZXHADL-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3-heptafluoro-5-iodopentane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

92
Patents

323.9246 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.93188 143.1
[M+Na]+ 346.91382 145.2
[M-H]- 322.91732 129.0
[M+NH4]+ 341.95842 156.6
[M+K]+ 362.88776 148.9
[M+H-H2O]+ 306.92186 130.7
[M+HCOO]- 368.92280 150.5
[M+CH3COO]- 382.93845 196.1
[M+Na-2H]- 344.89927 136.5
[M]+ 323.92405 131.3
[M]- 323.92515 131.3
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