CID 2779332

134052-01-0

Structural Information

Molecular Formula
C17H23F13O
SMILES
C(CCCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCCCCO
InChI
InChI=1S/C17H23F13O/c18-12(19,10-8-6-4-2-1-3-5-7-9-11-31)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)30/h31H,1-11H2
InChIKey
LUTLJOIFXGWROU-UHFFFAOYSA-N
Compound name
12,12,13,13,14,14,15,15,16,16,17,17,17-tridecafluoroheptadecan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

490.15414 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.16142 180.5
[M+Na]+ 513.14336 185.2
[M-H]- 489.14686 179.3
[M+NH4]+ 508.18796 184.4
[M+K]+ 529.11730 191.8
[M+H-H2O]+ 473.15140 170.8
[M+HCOO]- 535.15234 197.5
[M+CH3COO]- 549.16799 237.4
[M+Na-2H]- 511.12881 175.0
[M]+ 490.15359 178.2
[M]- 490.15469 178.2
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