CID 57169008

4,4-difluoro-4-phenylbutan-1-ol

Structural Information

Molecular Formula
C10H12F2O
SMILES
C1=CC=C(C=C1)C(CCCO)(F)F
InChI
InChI=1S/C10H12F2O/c11-10(12,7-4-8-13)9-5-2-1-3-6-9/h1-3,5-6,13H,4,7-8H2
InChIKey
IFVAPKOQYPEPKX-UHFFFAOYSA-N
Compound name
4,4-difluoro-4-phenylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

186.08562 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.09290 137.9
[M+Na]+ 209.07484 145.0
[M-H]- 185.07834 137.3
[M+NH4]+ 204.11944 156.9
[M+K]+ 225.04878 142.0
[M+H-H2O]+ 169.08288 130.9
[M+HCOO]- 231.08382 157.2
[M+CH3COO]- 245.09947 179.6
[M+Na-2H]- 207.06029 144.5
[M]+ 186.08507 134.9
[M]- 186.08617 134.9
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