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

4
Patents

384.07718 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.084456 179.6
[M+Na]+ 407.066398 187.4
[M-H]- 383.069904 170.4
[M+NH4]+ 402.111003 190.2
[M+K]+ 423.040338 182.6
[M+H-H2O]+ 367.074440 166.8
[M+HCOO]- 429.075381 185.2
[M+CH3COO]- 443.091031 215.6
[M+Na-2H]- 405.051846 182.0
[M]+ 384.07663142 168.5
[M]- 384.07772858 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