CID 4241550

71360-30-0

Structural Information

Molecular Formula
C9H5F7O
SMILES
C1=CC(=CC=C1C(C(F)(F)F)(C(F)(F)F)F)O
InChI
InChI=1S/C9H5F7O/c10-7(8(11,12)13,9(14,15)16)5-1-3-6(17)4-2-5/h1-4,17H
InChIKey
HMCZBEORMIKDPZ-UHFFFAOYSA-N
Compound name
4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

48
Patents

262.02286 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.03014 147.0
[M+Na]+ 285.01208 156.7
[M-H]- 261.01558 141.0
[M+NH4]+ 280.05668 163.0
[M+K]+ 300.98602 152.8
[M+H-H2O]+ 245.02012 136.8
[M+HCOO]- 307.02106 157.9
[M+CH3COO]- 321.03671 192.0
[M+Na-2H]- 282.99753 152.1
[M]+ 262.02231 136.2
[M]- 262.02341 136.2
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