CID 2773361

85510-82-3

Structural Information

Molecular Formula
C7H5BrClF
SMILES
C1=CC(=C(C=C1Br)F)CCl
InChI
InChI=1S/C7H5BrClF/c8-6-2-1-5(4-9)7(10)3-6/h1-3H,4H2
InChIKey
UDKQGFMDBMYVHI-UHFFFAOYSA-N
Compound name
4-bromo-1-(chloromethyl)-2-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
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 133.1
[M+Na]+ 244.91393 147.4
[M-H]- 220.91743 138.7
[M+NH4]+ 239.95853 156.5
[M+K]+ 260.88787 134.6
[M+H-H2O]+ 204.92197 134.1
[M+HCOO]- 266.92291 150.4
[M+CH3COO]- 280.93856 184.7
[M+Na-2H]- 242.89938 141.1
[M]+ 221.92416 152.4
[M]- 221.92526 152.4
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