CID 2783374

16083-64-0

Structural Information

Molecular Formula
C10H6F15IO
SMILES
C(C(CO)I)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/C10H6F15IO/c11-4(12,1-3(26)2-27)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h3,27H,1-2H2
InChIKey
DQVFKOBJDNVRJK-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-iododecan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

553.92236 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 554.92964 171.2
[M+Na]+ 576.91158 170.7
[M+NH4]+ 571.95618 170.4
[M+K]+ 592.88552 170.5
[M-H]- 552.91508 168.2
[M+Na-2H]- 574.89703 169.7
[M]+ 553.92181 170.1
[M]- 553.92291 170.1
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