CID 242824

1-bromo-4-(tribromomethyl)benzene

Structural Information

Molecular Formula
C7H4Br4
SMILES
C1=CC(=CC=C1C(Br)(Br)Br)Br
InChI
InChI=1S/C7H4Br4/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H
InChIKey
JYAVJLTUVOJMPZ-UHFFFAOYSA-N
Compound name
1-bromo-4-(tribromomethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

403.70465 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.71193 151.9
[M+Na]+ 426.69387 158.5
[M-H]- 402.69737 156.2
[M+NH4]+ 421.73847 162.8
[M+K]+ 442.66781 145.4
[M+H-H2O]+ 386.70191 170.5
[M+HCOO]- 448.70285 157.6
[M+CH3COO]- 462.71850 233.1
[M+Na-2H]- 424.67932 155.3
[M]+ 403.70410 190.0
[M]- 403.70520 190.0
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