CID 14748770

1512-02-3

Structural Information

Molecular Formula
C19H23F17O
SMILES
C(CCCCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCCCCO
InChI
InChI=1S/C19H23F17O/c20-12(21,10-8-6-4-2-1-3-5-7-9-11-37)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)36/h37H,1-11H2
InChIKey
GZPAINIKTKBDHV-UHFFFAOYSA-N
Compound name
12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadecan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

30
Patents

590.14777 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 591.15505 192.5
[M+Na]+ 613.13699 196.0
[M-H]- 589.14049 194.8
[M+NH4]+ 608.18159 199.0
[M+K]+ 629.11093 206.8
[M+H-H2O]+ 573.14503 180.3
[M+HCOO]- 635.14597 209.0
[M+CH3COO]- 649.16162 252.8
[M+Na-2H]- 611.12244 187.7
[M]+ 590.14722 189.9
[M]- 590.14832 189.9
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