CID 56965491

2-bromo-1-chloro-4-(difluoromethyl)benzene

Structural Information

Molecular Formula
C7H4BrClF2
SMILES
C1=CC(=C(C=C1C(F)F)Br)Cl
InChI
InChI=1S/C7H4BrClF2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,7H
InChIKey
AUSXSEUWVKBNCN-UHFFFAOYSA-N
Compound name
2-bromo-1-chloro-4-(difluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

239.9153 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.922576 136.9
[M+Na]+ 262.904518 151.0
[M-H]- 238.908024 141.2
[M+NH4]+ 257.949123 159.4
[M+K]+ 278.878458 138.0
[M+H-H2O]+ 222.912560 137.0
[M+HCOO]- 284.913501 152.3
[M+CH3COO]- 298.929151 188.0
[M+Na-2H]- 260.889966 143.0
[M]+ 239.91475142 154.5
[M]- 239.91584858 154.5
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