CID 44717723

2-bromo-5-fluoro-1,3-dimethylbenzene

Structural Information

Molecular Formula
C8H8BrF
SMILES
CC1=CC(=CC(=C1Br)C)F
InChI
InChI=1S/C8H8BrF/c1-5-3-7(10)4-6(2)8(5)9/h3-4H,1-2H3
InChIKey
SIZYXYRNXJSAON-UHFFFAOYSA-N
Compound name
2-bromo-5-fluoro-1,3-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

147
Patents

201.97934 Da
Monoisotopic Mass

4.2
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

literature stripe

Patent stripe

patents stripe