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]+ 236.97211 141.9
[M+Na]+ 258.95405 154.3
[M-H]- 234.95755 146.1
[M+NH4]+ 253.99865 163.5
[M+K]+ 274.92799 143.5
[M+H-H2O]+ 218.96209 141.1
[M+HCOO]- 280.96303 160.9
[M+CH3COO]- 294.97868 187.6
[M+Na-2H]- 256.93950 150.0
[M]+ 235.96428 159.0
[M]- 235.96538 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