CID 2774122

3-(difluoromethoxy)phenol

Structural Information

Molecular Formula
C7H6F2O2
SMILES
C1=CC(=CC(=C1)OC(F)F)O
InChI
InChI=1S/C7H6F2O2/c8-7(9)11-6-3-1-2-5(10)4-6/h1-4,7,10H
InChIKey
NETVQEPAYWXLPM-UHFFFAOYSA-N
Compound name
3-(difluoromethoxy)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

229
Patents

160.03358 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.04086 126.5
[M+Na]+ 183.02280 135.1
[M-H]- 159.02630 126.6
[M+NH4]+ 178.06740 146.7
[M+K]+ 198.99674 133.4
[M+H-H2O]+ 143.03084 119.6
[M+HCOO]- 205.03178 147.6
[M+CH3COO]- 219.04743 174.1
[M+Na-2H]- 181.00825 132.2
[M]+ 160.03303 124.1
[M]- 160.03413 124.1
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

patents stripe