CID 22929634

93427-14-6

Structural Information

Molecular Formula
C8H7BrCl2
SMILES
C1=C(C=C(C=C1Cl)Cl)CCBr
InChI
InChI=1S/C8H7BrCl2/c9-2-1-6-3-7(10)5-8(11)4-6/h3-5H,1-2H2
InChIKey
LJLBCAVZAJPFMH-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)-3,5-dichlorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

251.91081 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.91809 139.2
[M+Na]+ 274.90003 153.6
[M-H]- 250.90353 145.2
[M+NH4]+ 269.94463 161.8
[M+K]+ 290.87397 139.4
[M+H-H2O]+ 234.90807 141.5
[M+HCOO]- 296.90901 152.3
[M+CH3COO]- 310.92466 189.4
[M+Na-2H]- 272.88548 146.6
[M]+ 251.91026 160.5
[M]- 251.91136 160.5
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