CID 66749009

1,3-bis(bromomethyl)-5-chlorobenzene

Structural Information

Molecular Formula
C8H7Br2Cl
SMILES
C1=C(C=C(C=C1CBr)Cl)CBr
InChI
InChI=1S/C8H7Br2Cl/c9-4-6-1-7(5-10)3-8(11)2-6/h1-3H,4-5H2
InChIKey
XZHUMKMJIWMDNH-UHFFFAOYSA-N
Compound name
1,3-bis(bromomethyl)-5-chlorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

295.8603 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.86758 138.8
[M+Na]+ 318.84952 151.7
[M-H]- 294.85302 145.9
[M+NH4]+ 313.89412 159.3
[M+K]+ 334.82346 134.5
[M+H-H2O]+ 278.85756 148.1
[M+HCOO]- 340.85850 152.1
[M+CH3COO]- 354.87415 202.4
[M+Na-2H]- 316.83497 146.5
[M]+ 295.85975 174.4
[M]- 295.86085 174.4
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