CID 4294298

51760-23-7

Structural Information

Molecular Formula
C8H7Br3
SMILES
C1=C(C=C(C=C1CBr)Br)CBr
InChI
InChI=1S/C8H7Br3/c9-4-6-1-7(5-10)3-8(11)2-6/h1-3H,4-5H2
InChIKey
FTJLVLCWBYPFGX-UHFFFAOYSA-N
Compound name
1-bromo-3,5-bis(bromomethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

129
Patents

339.80978 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.81706 137.1
[M+Na]+ 362.79900 145.6
[M-H]- 338.80250 142.9
[M+NH4]+ 357.84360 152.7
[M+K]+ 378.77294 130.4
[M+H-H2O]+ 322.80704 152.4
[M+HCOO]- 384.80798 148.0
[M+CH3COO]- 398.82363 218.8
[M+Na-2H]- 360.78445 143.3
[M]+ 339.80923 178.1
[M]- 339.81033 178.1
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