CID 108856

2-bromo-3-fluorotoluene

Structural Information

Molecular Formula
C7H6BrF
SMILES
CC1=C(C(=CC=C1)F)Br
InChI
InChI=1S/C7H6BrF/c1-5-3-2-4-6(9)7(5)8/h2-4H,1H3
InChIKey
FYCXRRYRNRDSRM-UHFFFAOYSA-N
Compound name
2-bromo-1-fluoro-3-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

254
Patents

187.96368 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.97096 131.1
[M+Na]+ 210.95290 135.6
[M+NH4]+ 205.99750 136.9
[M+K]+ 226.92684 134.5
[M-H]- 186.95640 131.6
[M+Na-2H]- 208.93835 135.6
[M]+ 187.96313 130.8
[M]- 187.96423 130.8
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

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