CID 2757008

1-bromo-4-fluoro-2,3-dimethylbenzene

Structural Information

Molecular Formula
C8H8BrF
SMILES
CC1=C(C=CC(=C1C)Br)F
InChI
InChI=1S/C8H8BrF/c1-5-6(2)8(10)4-3-7(5)9/h3-4H,1-2H3
InChIKey
OYWLDZXWISLBMC-UHFFFAOYSA-N
Compound name
1-bromo-4-fluoro-2,3-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

153
Patents

201.97934 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.986616 132.1
[M+Na]+ 224.968558 145.8
[M-H]- 200.972064 138.1
[M+NH4]+ 220.013163 155.7
[M+K]+ 240.942498 134.9
[M+H-H2O]+ 184.976600 132.4
[M+HCOO]- 246.977541 153.4
[M+CH3COO]- 260.993191 185.0
[M+Na-2H]- 222.954006 139.3
[M]+ 201.97879142 150.2
[M]- 201.97988858 150.2
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