CID 28981472

4-bromo-2-(chloromethyl)-1-(difluoromethoxy)benzene

Structural Information

Molecular Formula
C8H6BrClF2O
SMILES
C1=CC(=C(C=C1Br)CCl)OC(F)F
InChI
InChI=1S/C8H6BrClF2O/c9-6-1-2-7(13-8(11)12)5(3-6)4-10/h1-3,8H,4H2
InChIKey
SMQWZKACAVYQMA-UHFFFAOYSA-N
Compound name
4-bromo-2-(chloromethyl)-1-(difluoromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.92587 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.93315 144.5
[M+Na]+ 292.91509 158.0
[M-H]- 268.91859 148.6
[M+NH4]+ 287.95969 165.7
[M+K]+ 308.88903 145.2
[M+H-H2O]+ 252.92313 144.1
[M+HCOO]- 314.92407 159.7
[M+CH3COO]- 328.93972 192.6
[M+Na-2H]- 290.90054 150.0
[M]+ 269.92532 163.7
[M]- 269.92642 163.7
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.