CID 2773396

3-bromo-5-fluorotoluene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

368
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

No literature data available for this compound.

Patent stripe

patents stripe