CID 155973803

1-(2-bromoethyl)-3,4-dichloro-2-methylbenzene

Structural Information

Molecular Formula
C9H9BrCl2
SMILES
CC1=C(C=CC(=C1Cl)Cl)CCBr
InChI
InChI=1S/C9H9BrCl2/c1-6-7(4-5-10)2-3-8(11)9(6)12/h2-3H,4-5H2,1H3
InChIKey
VJLUUEXGLFPOEZ-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)-3,4-dichloro-2-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.92648 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.93376 143.1
[M+Na]+ 288.91570 158.0
[M-H]- 264.91920 149.3
[M+NH4]+ 283.96030 165.5
[M+K]+ 304.88964 143.6
[M+H-H2O]+ 248.92374 145.4
[M+HCOO]- 310.92468 155.9
[M+CH3COO]- 324.94033 193.2
[M+Na-2H]- 286.90115 149.4
[M]+ 265.92593 165.1
[M]- 265.92703 165.1
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

No patent data available for this compound.