CID 19705045

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

Structural Information

Molecular Formula
C7H4BrCl3
SMILES
C1=C(C=C(C(=C1CBr)Cl)Cl)Cl
InChI
InChI=1S/C7H4BrCl3/c8-3-4-1-5(9)2-6(10)7(4)11/h1-2H,3H2
InChIKey
IPFQCETYZRPQAM-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-2,3,5-trichlorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

271.8562 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.863476 138.9
[M+Na]+ 294.845418 154.5
[M-H]- 270.848924 144.1
[M+NH4]+ 289.890023 160.8
[M+K]+ 310.819358 139.8
[M+H-H2O]+ 254.853460 142.0
[M+HCOO]- 316.854401 147.0
[M+CH3COO]- 330.870051 192.8
[M+Na-2H]- 292.830866 145.2
[M]+ 271.85565142 159.6
[M]- 271.85674858 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

patents stripe