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

5
Patents

239.9153 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.92258 136.9
[M+Na]+ 262.90452 151.0
[M-H]- 238.90802 141.2
[M+NH4]+ 257.94912 159.4
[M+K]+ 278.87846 138.0
[M+H-H2O]+ 222.91256 137.0
[M+HCOO]- 284.91350 152.3
[M+CH3COO]- 298.92915 188.0
[M+Na-2H]- 260.88997 143.0
[M]+ 239.91475 154.5
[M]- 239.91585 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