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]+ 270.93315 146.1
[M+Na]+ 292.91509 159.5
[M-H]- 268.91859 150.2
[M+NH4]+ 287.95969 167.3
[M+K]+ 308.88903 146.7
[M+H-H2O]+ 252.92313 146.0
[M+HCOO]- 314.92407 160.8
[M+CH3COO]- 328.93972 191.1
[M+Na-2H]- 290.90054 153.9
[M]+ 269.92532 165.1
[M]- 269.92642 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.