CID 90408454

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

Structural Information

Molecular Formula
C7H3BrF4
SMILES
C1=C(C(=CC(=C1F)Br)F)C(F)F
InChI
InChI=1S/C7H3BrF4/c8-4-2-5(9)3(7(11)12)1-6(4)10/h1-2,7H
InChIKey
XTGNEVHXMFTHIC-UHFFFAOYSA-N
Compound name
1-bromo-4-(difluoromethyl)-2,5-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

241.93542 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.94270 140.2
[M+Na]+ 264.92464 154.1
[M-H]- 240.92814 142.4
[M+NH4]+ 259.96924 161.7
[M+K]+ 280.89858 142.3
[M+H-H2O]+ 224.93268 137.8
[M+HCOO]- 286.93362 157.7
[M+CH3COO]- 300.94927 190.8
[M+Na-2H]- 262.91009 144.4
[M]+ 241.93487 153.7
[M]- 241.93597 153.7
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