CID 12389938

1,2-dibromo-4-(bromomethyl)benzene

Structural Information

Molecular Formula
C7H5Br3
SMILES
C1=CC(=C(C=C1CBr)Br)Br
InChI
InChI=1S/C7H5Br3/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,4H2
InChIKey
CSQATZGGKHAYKW-UHFFFAOYSA-N
Compound name
1,2-dibromo-4-(bromomethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

325.79413 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.80141 133.8
[M+Na]+ 348.78335 142.5
[M-H]- 324.78685 139.6
[M+NH4]+ 343.82795 149.7
[M+K]+ 364.75729 127.4
[M+H-H2O]+ 308.79139 149.2
[M+HCOO]- 370.79233 144.8
[M+CH3COO]- 384.80798 217.2
[M+Na-2H]- 346.76880 140.3
[M]+ 325.79358 174.6
[M]- 325.79468 174.6
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