CID 16211017

4-(4,4,5,5,6,6,7,7,7-nonafluoroheptyloxy)benzyl alcohol

Structural Information

Molecular Formula
C14H13F9O2
SMILES
C1=CC(=CC=C1CO)OCCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C14H13F9O2/c15-11(16,12(17,18)13(19,20)14(21,22)23)6-1-7-25-10-4-2-9(8-24)3-5-10/h2-5,24H,1,6-8H2
InChIKey
FVFREHJGVAWXEQ-UHFFFAOYSA-N
Compound name
[4-(4,4,5,5,6,6,7,7,7-nonafluoroheptoxy)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1
Patents

384.07718 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.08446 179.6
[M+Na]+ 407.06640 187.4
[M-H]- 383.06990 170.4
[M+NH4]+ 402.11100 190.2
[M+K]+ 423.04034 182.6
[M+H-H2O]+ 367.07444 166.8
[M+HCOO]- 429.07538 185.2
[M+CH3COO]- 443.09103 215.6
[M+Na-2H]- 405.05185 182.0
[M]+ 384.07663 168.5
[M]- 384.07773 168.5
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