CID 81588952

[2-bromo-5-(difluoromethoxy)phenyl]methanol

Structural Information

Molecular Formula
C8H7BrF2O2
SMILES
C1=CC(=C(C=C1OC(F)F)CO)Br
InChI
InChI=1S/C8H7BrF2O2/c9-7-2-1-6(13-8(10)11)3-5(7)4-12/h1-3,8,12H,4H2
InChIKey
KDFBRFVSGDNGNI-UHFFFAOYSA-N
Compound name
[2-bromo-5-(difluoromethoxy)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.95975 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.967026 144.5
[M+Na]+ 274.948968 156.3
[M-H]- 250.952474 147.3
[M+NH4]+ 269.993573 164.7
[M+K]+ 290.922908 145.2
[M+H-H2O]+ 234.957010 143.1
[M+HCOO]- 296.957951 162.7
[M+CH3COO]- 310.973601 188.4
[M+Na-2H]- 272.934416 149.5
[M]+ 251.95920142 161.3
[M]- 251.96029858 161.3
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

No patent data available for this compound.