CID 57370344

[4-(heptadecafluorooctyl)phenyl]methanol

Structural Information

Molecular Formula
C15H7F17O
SMILES
C1=CC(=CC=C1CO)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/C15H7F17O/c16-8(17,7-3-1-6(5-33)2-4-7)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32/h1-4,33H,5H2
InChIKey
XSCXGBGLEZMUEH-UHFFFAOYSA-N
Compound name
[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

526.0225 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.02978 207.0
[M+Na]+ 549.01172 216.1
[M-H]- 525.01522 192.0
[M+NH4]+ 544.05632 170.3
[M+K]+ 564.98566 210.6
[M+H-H2O]+ 509.01976 190.2
[M+HCOO]- 571.02070 186.1
[M+CH3COO]- 585.03635 240.2
[M+Na-2H]- 546.99717 208.6
[M]+ 526.02195 180.8
[M]- 526.02305 180.8
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