CID 91926697

5-(bromomethyl)-1,2,3-trichlorobenzene

Structural Information

Molecular Formula
C7H4BrCl3
SMILES
C1=C(C=C(C(=C1Cl)Cl)Cl)CBr
InChI
InChI=1S/C7H4BrCl3/c8-3-4-1-5(9)7(11)6(10)2-4/h1-2H,3H2
InChIKey
PDIOTIMDJRLRFI-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-1,2,3-trichlorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.8562 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.86348 138.9
[M+Na]+ 294.84542 154.5
[M-H]- 270.84892 144.1
[M+NH4]+ 289.89002 160.8
[M+K]+ 310.81936 139.8
[M+H-H2O]+ 254.85346 142.0
[M+HCOO]- 316.85440 147.0
[M+CH3COO]- 330.87005 192.8
[M+Na-2H]- 292.83087 145.2
[M]+ 271.85565 159.6
[M]- 271.85675 159.6
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

No patent data available for this compound.