CID 19420177

4-(nonafluorobutyl)phenol

Structural Information

Molecular Formula
C10H5F9O
SMILES
C1=CC(=CC=C1C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C10H5F9O/c11-7(12,5-1-3-6(20)4-2-5)8(13,14)9(15,16)10(17,18)19/h1-4,20H
InChIKey
YHGQGMLMMONWKC-UHFFFAOYSA-N
Compound name
4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

19
Patents

312.01965 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.02693 157.5
[M+Na]+ 335.00887 167.1
[M-H]- 311.01237 149.2
[M+NH4]+ 330.05347 171.1
[M+K]+ 350.98281 162.7
[M+H-H2O]+ 295.01691 145.7
[M+HCOO]- 357.01785 164.3
[M+CH3COO]- 371.03350 202.2
[M+Na-2H]- 332.99432 161.8
[M]+ 312.01910 143.6
[M]- 312.02020 143.6
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