CID 170065

38550-45-7

Structural Information

Molecular Formula
C11H6F17IO
SMILES
C(C(CO)I)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H6F17IO/c12-4(13,1-3(29)2-30)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h3,30H,1-2H2
InChIKey
WNOHMWCTVWXSJC-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-iodoundecan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

603.9192 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 604.92648 202.2
[M+Na]+ 626.90842 207.3
[M-H]- 602.91192 207.6
[M+NH4]+ 621.95302 210.0
[M+K]+ 642.88236 215.5
[M+H-H2O]+ 586.91646 191.5
[M+HCOO]- 648.91740 217.7
[M+CH3COO]- 662.93305 240.5
[M+Na-2H]- 624.89387 198.8
[M]+ 603.91865 198.1
[M]- 603.91975 198.1
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