CID 67947812

1-bromo-2-(chloromethyl)-3,4-difluorobenzene

Structural Information

Molecular Formula
C7H4BrClF2
SMILES
C1=CC(=C(C(=C1F)F)CCl)Br
InChI
InChI=1S/C7H4BrClF2/c8-5-1-2-6(10)7(11)4(5)3-9/h1-2H,3H2
InChIKey
AAWCDFVOFJSKFD-UHFFFAOYSA-N
Compound name
1-bromo-2-(chloromethyl)-3,4-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

239.9153 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.92258 135.9
[M+Na]+ 262.90452 151.1
[M-H]- 238.90802 140.5
[M+NH4]+ 257.94912 158.8
[M+K]+ 278.87846 137.8
[M+H-H2O]+ 222.91256 136.2
[M+HCOO]- 284.91350 152.2
[M+CH3COO]- 298.92915 188.3
[M+Na-2H]- 260.88997 142.6
[M]+ 239.91475 154.4
[M]- 239.91585 154.4
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