CID 79021508

2-bromo-1-(chloromethyl)-3-fluorobenzene

Structural Information

Molecular Formula
C7H5BrClF
SMILES
C1=CC(=C(C(=C1)F)Br)CCl
InChI
InChI=1S/C7H5BrClF/c8-7-5(4-9)2-1-3-6(7)10/h1-3H,4H2
InChIKey
KYNNNKFAVRPOBK-UHFFFAOYSA-N
Compound name
2-bromo-1-(chloromethyl)-3-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

221.92471 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.93199 136.1
[M+Na]+ 244.91393 141.3
[M+NH4]+ 239.95853 142.1
[M+K]+ 260.88787 139.5
[M-H]- 220.91743 136.6
[M+Na-2H]- 242.89938 140.7
[M]+ 221.92416 136.2
[M]- 221.92526 136.2
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