CID 170064

38550-44-6

Structural Information

Molecular Formula
C9H6F13IO
SMILES
C(C(CO)I)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H6F13IO/c10-4(11,1-3(23)2-24)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h3,24H,1-2H2
InChIKey
JIDYQTCBVGBFDH-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-iodononan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

18
Patents

503.92557 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.93285 180.2
[M+Na]+ 526.91479 182.0
[M-H]- 502.91829 159.8
[M+NH4]+ 521.95939 196.3
[M+K]+ 542.88873 183.9
[M+H-H2O]+ 486.92283 164.4
[M+HCOO]- 548.92377 206.6
[M+CH3COO]- 562.93942 224.9
[M+Na-2H]- 524.90024 171.0
[M]+ 503.92502 158.7
[M]- 503.92612 158.7
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