CID 2736335

2-bromo-6-fluorotoluene

Structural Information

Molecular Formula
C7H6BrF
SMILES
CC1=C(C=CC=C1Br)F
InChI
InChI=1S/C7H6BrF/c1-5-6(8)3-2-4-7(5)9/h2-4H,1H3
InChIKey
DJGXPFQIMLEVPA-UHFFFAOYSA-N
Compound name
1-bromo-3-fluoro-2-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

399
Patents

187.96368 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.970956 128.2
[M+Na]+ 210.952898 141.6
[M-H]- 186.956404 134.1
[M+NH4]+ 205.997503 152.1
[M+K]+ 226.926838 130.8
[M+H-H2O]+ 170.960940 128.6
[M+HCOO]- 232.961881 149.9
[M+CH3COO]- 246.977531 181.1
[M+Na-2H]- 208.938346 136.6
[M]+ 187.96313142 145.7
[M]- 187.96422858 145.7
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