CID 22717513

Schembl6687063

Structural Information

Molecular Formula
C14H12BrF
SMILES
CCC1=CC=C(C=C1)C2=C(C=C(C=C2)Br)F
InChI
InChI=1S/C14H12BrF/c1-2-10-3-5-11(6-4-10)13-8-7-12(15)9-14(13)16/h3-9H,2H2,1H3
InChIKey
AXIWRZUIKYZELU-UHFFFAOYSA-N
Compound name
4-bromo-1-(4-ethylphenyl)-2-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

278.01065 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.01793 154.6
[M+Na]+ 300.99987 166.9
[M-H]- 277.00337 162.9
[M+NH4]+ 296.04447 174.8
[M+K]+ 316.97381 154.4
[M+H-H2O]+ 261.00791 153.4
[M+HCOO]- 323.00885 175.4
[M+CH3COO]- 337.02450 197.6
[M+Na-2H]- 298.98532 160.7
[M]+ 278.01010 172.4
[M]- 278.01120 172.4
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

No patent data available for this compound.