CID 131268571

1-bromo-4-(chloromethyl)-5-fluoro-2-methylbenzene

Structural Information

Molecular Formula
C8H7BrClF
SMILES
CC1=CC(=C(C=C1Br)F)CCl
InChI
InChI=1S/C8H7BrClF/c1-5-2-6(4-10)8(11)3-7(5)9/h2-3H,4H2,1H3
InChIKey
JZKADLUDYSBTEG-UHFFFAOYSA-N
Compound name
1-bromo-4-(chloromethyl)-5-fluoro-2-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.94037 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.947646 137.1
[M+Na]+ 258.929588 151.9
[M-H]- 234.933094 142.9
[M+NH4]+ 253.974193 160.2
[M+K]+ 274.903528 138.7
[M+H-H2O]+ 218.937630 138.1
[M+HCOO]- 280.938571 154.1
[M+CH3COO]- 294.954221 188.5
[M+Na-2H]- 256.915036 143.9
[M]+ 235.93982142 157.0
[M]- 235.94091858 157.0
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.