CID 20084298

4-(2,2,3,3,4,4,4-heptafluorobutoxy)phenol

Structural Information

Molecular Formula
C10H7F7O2
SMILES
C1=CC(=CC=C1O)OCC(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H7F7O2/c11-8(12,9(13,14)10(15,16)17)5-19-7-3-1-6(18)2-4-7/h1-4,18H,5H2
InChIKey
PLQJITIKAMFDGJ-UHFFFAOYSA-N
Compound name
4-(2,2,3,3,4,4,4-heptafluorobutoxy)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

17
Patents

292.03342 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.04070 155.0
[M+Na]+ 315.02264 164.0
[M-H]- 291.02614 148.7
[M+NH4]+ 310.06724 169.5
[M+K]+ 330.99658 160.4
[M+H-H2O]+ 275.03068 144.2
[M+HCOO]- 337.03162 165.7
[M+CH3COO]- 351.04727 197.6
[M+Na-2H]- 313.00809 159.6
[M]+ 292.03287 145.9
[M]- 292.03397 145.9
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