CID 66865742

5-bromo-1,3-dichloro-2-(difluoromethoxy)benzene

Structural Information

Molecular Formula
C7H3BrCl2F2O
SMILES
C1=C(C=C(C(=C1Cl)OC(F)F)Cl)Br
InChI
InChI=1S/C7H3BrCl2F2O/c8-3-1-4(9)6(5(10)2-3)13-7(11)12/h1-2,7H
InChIKey
RWQOWCFPTCFWBF-UHFFFAOYSA-N
Compound name
5-bromo-1,3-dichloro-2-(difluoromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

289.87125 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.87853 142.2
[M+Na]+ 312.86047 157.5
[M-H]- 288.86397 146.2
[M+NH4]+ 307.90507 163.4
[M+K]+ 328.83441 143.6
[M+H-H2O]+ 272.86851 143.0
[M+HCOO]- 334.86945 153.0
[M+CH3COO]- 348.88510 195.2
[M+Na-2H]- 310.84592 147.3
[M]+ 289.87070 162.3
[M]- 289.87180 162.3
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