CID 74884

2043-52-9

Structural Information

Molecular Formula
C9H4F15I
SMILES
C(CI)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H4F15I/c10-3(11,1-2-25)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)24/h1-2H2
InChIKey
QVTHRDRXTVTNEK-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-9-iodononane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

16
Patents

523.9118 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 524.91908 183.7
[M+Na]+ 546.90102 186.7
[M-H]- 522.90452 163.6
[M+NH4]+ 541.94562 199.0
[M+K]+ 562.87496 188.1
[M+H-H2O]+ 506.90906 166.8
[M+HCOO]- 568.91000 211.6
[M+CH3COO]- 582.92565 230.7
[M+Na-2H]- 544.88647 175.9
[M]+ 523.91125 159.9
[M]- 523.91235 159.9
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