CID 83410170

1-bromo-3-(chloromethyl)-2-fluoro-4-methylbenzene

Structural Information

Molecular Formula
C8H7BrClF
SMILES
CC1=C(C(=C(C=C1)Br)F)CCl
InChI
InChI=1S/C8H7BrClF/c1-5-2-3-7(9)8(11)6(5)4-10/h2-3H,4H2,1H3
InChIKey
JXXSWDAMOGOOMK-UHFFFAOYSA-N
Compound name
1-bromo-3-(chloromethyl)-2-fluoro-4-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]+ 236.94765 140.3
[M+Na]+ 258.92959 145.7
[M+NH4]+ 253.97419 146.2
[M+K]+ 274.90353 143.8
[M-H]- 234.93309 140.8
[M+Na-2H]- 256.91504 144.5
[M]+ 235.93982 140.4
[M]- 235.94092 140.4
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

No patent data available for this compound.