CID 2782401

141183-94-0

Structural Information

Molecular Formula
C13H11F17O
SMILES
CC(C)(CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C13H11F17O/c1-5(2,31)3-4-6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)30/h31H,3-4H2,1-2H3
InChIKey
VDLOMMAXELCHDN-UHFFFAOYSA-N
Compound name
5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-2-methyldodecan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

506.05383 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.06111 172.5
[M+Na]+ 529.04305 176.8
[M-H]- 505.04655 178.7
[M+NH4]+ 524.08765 180.3
[M+K]+ 545.01699 186.5
[M+H-H2O]+ 489.05109 159.9
[M+HCOO]- 551.05203 191.7
[M+CH3COO]- 565.06768 238.6
[M+Na-2H]- 527.02850 170.8
[M]+ 506.05328 172.1
[M]- 506.05438 172.1
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