CID 2773397

364-12-5

Structural Information

Molecular Formula
C7H3BrF3I
SMILES
C1=CC(=C(C=C1Br)C(F)(F)F)I
InChI
InChI=1S/C7H3BrF3I/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3H
InChIKey
FTIZUXGKTNJZEG-UHFFFAOYSA-N
Compound name
4-bromo-1-iodo-2-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

153
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

No literature data available for this compound.

Patent stripe

patents stripe