CID 2783136

206362-80-3

Structural Information

Molecular Formula
C7H5BrClF
SMILES
C1=CC(=C(C=C1CBr)F)Cl
InChI
InChI=1S/C7H5BrClF/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,4H2
InChIKey
CNUYBEIHDWMLSD-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-1-chloro-2-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

490
Patents

221.92471 Da
Monoisotopic Mass

3.2
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

literature stripe

Patent stripe

patents stripe