CID 59327545

5-bromo-1-fluoro-2-methoxy-3-methylbenzene

Structural Information

Molecular Formula
C8H8BrFO
SMILES
CC1=CC(=CC(=C1OC)F)Br
InChI
InChI=1S/C8H8BrFO/c1-5-3-6(9)4-7(10)8(5)11-2/h3-4H,1-2H3
InChIKey
VJBGQCXPLYNALH-UHFFFAOYSA-N
Compound name
5-bromo-1-fluoro-2-methoxy-3-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

217.97426 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.98154 138.8
[M+Na]+ 240.96348 143.0
[M+NH4]+ 236.00808 143.9
[M+K]+ 256.93742 142.3
[M-H]- 216.96698 138.8
[M+Na-2H]- 238.94893 142.4
[M]+ 217.97371 138.3
[M]- 217.97481 138.3
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