CID 13480205

2-(2-bromoethyl)-1,4-dichlorobenzene

Structural Information

Molecular Formula
C8H7BrCl2
SMILES
C1=CC(=C(C=C1Cl)CCBr)Cl
InChI
InChI=1S/C8H7BrCl2/c9-4-3-6-5-7(10)1-2-8(6)11/h1-2,5H,3-4H2
InChIKey
SQFNBUBDSWRSOY-UHFFFAOYSA-N
Compound name
2-(2-bromoethyl)-1,4-dichlorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

251.91081 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.918086 139.2
[M+Na]+ 274.900028 153.6
[M-H]- 250.903534 145.2
[M+NH4]+ 269.944633 161.8
[M+K]+ 290.873968 139.4
[M+H-H2O]+ 234.908070 141.5
[M+HCOO]- 296.909011 152.3
[M+CH3COO]- 310.924661 189.4
[M+Na-2H]- 272.885476 146.6
[M]+ 251.91026142 160.5
[M]- 251.91135858 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