CID 19042620

134316-79-3

Structural Information

Molecular Formula
C12H7BrClF
SMILES
C1=CC(=CC=C1C2=C(C=C(C=C2)Br)F)Cl
InChI
InChI=1S/C12H7BrClF/c13-9-3-6-11(12(15)7-9)8-1-4-10(14)5-2-8/h1-7H
InChIKey
DZPFCTSSXBLCKQ-UHFFFAOYSA-N
Compound name
4-bromo-1-(4-chlorophenyl)-2-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

283.94037 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.94765 150.3
[M+Na]+ 306.92959 164.5
[M-H]- 282.93309 158.7
[M+NH4]+ 301.97419 171.2
[M+K]+ 322.90353 150.5
[M+H-H2O]+ 266.93763 150.2
[M+HCOO]- 328.93857 167.4
[M+CH3COO]- 342.95422 165.7
[M+Na-2H]- 304.91504 157.2
[M]+ 283.93982 169.5
[M]- 283.94092 169.5
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