CID 131533789

2-bromo-3-(bromomethyl)-4-fluoro-1-(trifluoromethyl)benzene

Structural Information

Molecular Formula
C8H4Br2F4
SMILES
C1=CC(=C(C(=C1C(F)(F)F)Br)CBr)F
InChI
InChI=1S/C8H4Br2F4/c9-3-4-6(11)2-1-5(7(4)10)8(12,13)14/h1-2H,3H2
InChIKey
ZYCNJNMSDGKDKH-UHFFFAOYSA-N
Compound name
3-bromo-2-(bromomethyl)-1-fluoro-4-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.8616 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.86888 154.5
[M+Na]+ 356.85082 167.2
[M-H]- 332.85432 157.8
[M+NH4]+ 351.89542 172.9
[M+K]+ 372.82476 150.6
[M+H-H2O]+ 316.85886 160.3
[M+HCOO]- 378.85980 166.6
[M+CH3COO]- 392.87545 208.5
[M+Na-2H]- 354.83627 159.2
[M]+ 333.86105 184.2
[M]- 333.86215 184.2
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.