CID 60747047

[4-(3,3,3-trifluoropropoxy)phenyl]methanol

Structural Information

Molecular Formula
C10H11F3O2
SMILES
C1=CC(=CC=C1CO)OCCC(F)(F)F
InChI
InChI=1S/C10H11F3O2/c11-10(12,13)5-6-15-9-3-1-8(7-14)2-4-9/h1-4,14H,5-7H2
InChIKey
WRMAWYLPPKNIJX-UHFFFAOYSA-N
Compound name
[4-(3,3,3-trifluoropropoxy)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.07112 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.07840 143.7
[M+Na]+ 243.06034 151.8
[M-H]- 219.06384 142.1
[M+NH4]+ 238.10494 161.6
[M+K]+ 259.03428 148.8
[M+H-H2O]+ 203.06838 135.7
[M+HCOO]- 265.06932 162.1
[M+CH3COO]- 279.08497 184.8
[M+Na-2H]- 241.04579 149.0
[M]+ 220.07057 141.2
[M]- 220.07167 141.2
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

No patent data available for this compound.