CID 2736994

[3-(difluoromethoxy)phenyl]methanol

Structural Information

Molecular Formula
C8H8F2O2
SMILES
C1=CC(=CC(=C1)OC(F)F)CO
InChI
InChI=1S/C8H8F2O2/c9-8(10)12-7-3-1-2-6(4-7)5-11/h1-4,8,11H,5H2
InChIKey
BBDUCPSYPRGPGO-UHFFFAOYSA-N
Compound name
[3-(difluoromethoxy)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

174.04924 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.05652 131.3
[M+Na]+ 197.03846 139.4
[M-H]- 173.04196 131.2
[M+NH4]+ 192.08306 150.9
[M+K]+ 213.01240 137.5
[M+H-H2O]+ 157.04650 124.2
[M+HCOO]- 219.04744 152.0
[M+CH3COO]- 233.06309 177.1
[M+Na-2H]- 195.02391 136.4
[M]+ 174.04869 129.3
[M]- 174.04979 129.3
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