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

137
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 132.1
[M+Na]+ 224.96856 145.8
[M-H]- 200.97206 138.1
[M+NH4]+ 220.01316 155.7
[M+K]+ 240.94250 134.9
[M+H-H2O]+ 184.97660 132.4
[M+HCOO]- 246.97754 153.4
[M+CH3COO]- 260.99319 185.0
[M+Na-2H]- 222.95401 139.3
[M]+ 201.97879 150.2
[M]- 201.97989 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