CID 2757542

4-(bromomethyl)-2-chloro-1-fluorobenzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

474
Patents

221.92471 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.931986 133.1
[M+Na]+ 244.913928 147.4
[M-H]- 220.917434 138.7
[M+NH4]+ 239.958533 156.5
[M+K]+ 260.887868 134.6
[M+H-H2O]+ 204.921970 134.1
[M+HCOO]- 266.922911 150.4
[M+CH3COO]- 280.938561 184.7
[M+Na-2H]- 242.899376 141.1
[M]+ 221.92416142 152.4
[M]- 221.92525858 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