CID 130663729

1-bromo-4-chloro-2-(difluoromethyl)-5-fluorobenzene

Structural Information

Molecular Formula
C7H3BrClF3
SMILES
C1=C(C(=CC(=C1Cl)F)Br)C(F)F
InChI
InChI=1S/C7H3BrClF3/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2,7H
InChIKey
LIIJFXRHVRHEEO-UHFFFAOYSA-N
Compound name
1-bromo-4-chloro-2-(difluoromethyl)-5-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.90588 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.91316 139.7
[M+Na]+ 280.89510 154.6
[M-H]- 256.89860 143.1
[M+NH4]+ 275.93970 161.7
[M+K]+ 296.86904 141.2
[M+H-H2O]+ 240.90314 139.0
[M+HCOO]- 302.90408 154.1
[M+CH3COO]- 316.91973 191.7
[M+Na-2H]- 278.88055 144.5
[M]+ 257.90533 156.4
[M]- 257.90643 156.4
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

No patent data available for this compound.