CID 2736298

99725-44-7

Structural Information

Molecular Formula
C8H8BrF
SMILES
CC1=CC(=CC(=C1F)C)Br
InChI
InChI=1S/C8H8BrF/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,1-2H3
InChIKey
ZXPHUVHMBKRRJF-UHFFFAOYSA-N
Compound name
5-bromo-2-fluoro-1,3-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

164
Patents

201.97934 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.98662 135.3
[M+Na]+ 224.96856 140.0
[M+NH4]+ 220.01316 140.9
[M+K]+ 240.94250 138.8
[M-H]- 200.97206 135.8
[M+Na-2H]- 222.95401 139.4
[M]+ 201.97879 135.0
[M]- 201.97989 135.0
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