CID 10914654

1,4-bis(bromodifluoromethyl)benzene

Structural Information

Molecular Formula
C8H4Br2F4
SMILES
C1=CC(=CC=C1C(F)(F)Br)C(F)(F)Br
InChI
InChI=1S/C8H4Br2F4/c9-7(11,12)5-1-2-6(4-3-5)8(10,13)14/h1-4H
InChIKey
LVNDZUPLJHHVKR-UHFFFAOYSA-N
Compound name
1,4-bis[bromo(difluoro)methyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

333.8616 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.86888 158.6
[M+Na]+ 356.85082 170.3
[M-H]- 332.85432 161.5
[M+NH4]+ 351.89542 176.5
[M+K]+ 372.82476 153.9
[M+H-H2O]+ 316.85886 164.6
[M+HCOO]- 378.85980 169.5
[M+CH3COO]- 392.87545 207.6
[M+Na-2H]- 354.83627 164.5
[M]+ 333.86105 187.3
[M]- 333.86215 187.3
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