CID 131431180

1-(bromomethyl)-5-chloro-2-fluoro-3-(trifluoromethyl)benzene

Structural Information

Molecular Formula
C8H4BrClF4
SMILES
C1=C(C=C(C(=C1CBr)F)C(F)(F)F)Cl
InChI
InChI=1S/C8H4BrClF4/c9-3-4-1-5(10)2-6(7(4)11)8(12,13)14/h1-2H,3H2
InChIKey
WDCWWDYJUDDJCM-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-5-chloro-2-fluoro-3-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.9121 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.91938 149.4
[M+Na]+ 312.90132 164.7
[M-H]- 288.90482 151.6
[M+NH4]+ 307.94592 170.3
[M+K]+ 328.87526 150.6
[M+H-H2O]+ 272.90936 148.0
[M+HCOO]- 334.91030 161.9
[M+CH3COO]- 348.92595 196.1
[M+Na-2H]- 310.88677 154.6
[M]+ 289.91155 165.2
[M]- 289.91265 165.2
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.