CID 167725245

1-(bromomethyl)-3-(chlorodifluoromethoxy)benzene

Structural Information

Molecular Formula
C8H6BrClF2O
SMILES
C1=CC(=CC(=C1)OC(F)(F)Cl)CBr
InChI
InChI=1S/C8H6BrClF2O/c9-5-6-2-1-3-7(4-6)13-8(10,11)12/h1-4H,5H2
InChIKey
BFNUXUXPKJYGNJ-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-3-[chloro(difluoro)methoxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.92587 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.933146 146.1
[M+Na]+ 292.915088 159.5
[M-H]- 268.918594 150.2
[M+NH4]+ 287.959693 167.3
[M+K]+ 308.889028 146.7
[M+H-H2O]+ 252.923130 146.0
[M+HCOO]- 314.924071 160.8
[M+CH3COO]- 328.939721 191.1
[M+Na-2H]- 290.900536 153.9
[M]+ 269.92532142 165.1
[M]- 269.92641858 165.1
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

No patent data available for this compound.