CID 19807249

1-bromo-4-(chloromethyl)-2,5-difluorobenzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
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

literature stripe

Patent stripe

patents stripe