CID 58488279

1-bromo-4-[difluoro(methoxy)methyl]benzene

Structural Information

Molecular Formula
C8H7BrF2O
SMILES
COC(C1=CC=C(C=C1)Br)(F)F
InChI
InChI=1S/C8H7BrF2O/c1-12-8(10,11)6-2-4-7(9)5-3-6/h2-5H,1H3
InChIKey
XACPVAIECFJINJ-UHFFFAOYSA-N
Compound name
1-bromo-4-[difluoro(methoxy)methyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

235.96483 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.972106 141.9
[M+Na]+ 258.954048 154.3
[M-H]- 234.957554 146.1
[M+NH4]+ 253.998653 163.5
[M+K]+ 274.927988 143.5
[M+H-H2O]+ 218.962090 141.1
[M+HCOO]- 280.963031 160.9
[M+CH3COO]- 294.978681 187.6
[M+Na-2H]- 256.939496 150.0
[M]+ 235.96428142 159.0
[M]- 235.96537858 159.0
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