CID 91657019

1443341-74-9

Structural Information

Molecular Formula
C11H14F2O2
SMILES
CC(C)COC1=C(C(=CC(=C1)CO)F)F
InChI
InChI=1S/C11H14F2O2/c1-7(2)6-15-10-4-8(5-14)3-9(12)11(10)13/h3-4,7,14H,5-6H2,1-2H3
InChIKey
SMBVQAKGNBFKPW-UHFFFAOYSA-N
Compound name
[3,4-difluoro-5-(2-methylpropoxy)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.09619 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.10347 144.2
[M+Na]+ 239.08541 152.9
[M-H]- 215.08891 144.4
[M+NH4]+ 234.13001 162.8
[M+K]+ 255.05935 150.3
[M+H-H2O]+ 199.09345 137.0
[M+HCOO]- 261.09439 163.9
[M+CH3COO]- 275.11004 188.5
[M+Na-2H]- 237.07086 146.3
[M]+ 216.09564 144.1
[M]- 216.09674 144.1
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

No patent data available for this compound.