CID 16244089

2-bromo-1-iodo-4-(trifluoromethyl)benzene

Structural Information

Molecular Formula
C7H3BrF3I
SMILES
C1=CC(=C(C=C1C(F)(F)F)Br)I
InChI
InChI=1S/C7H3BrF3I/c8-5-3-4(7(9,10)11)1-2-6(5)12/h1-3H
InChIKey
LFHYCNXVEWPYAB-UHFFFAOYSA-N
Compound name
2-bromo-1-iodo-4-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

132
Patents

349.8415 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.84878 148.6
[M+Na]+ 372.83072 155.2
[M-H]- 348.83422 145.3
[M+NH4]+ 367.87532 165.4
[M+K]+ 388.80466 149.5
[M+H-H2O]+ 332.83876 143.7
[M+HCOO]- 394.83970 161.9
[M+CH3COO]- 408.85535 196.4
[M+Na-2H]- 370.81617 144.2
[M]+ 349.84095 159.9
[M]- 349.84205 159.9
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