CID 18468130

2-bromo-5-fluoro-4-methylanisole

Structural Information

Molecular Formula
C8H8BrFO
SMILES
CC1=CC(=C(C=C1F)OC)Br
InChI
InChI=1S/C8H8BrFO/c1-5-3-6(9)8(11-2)4-7(5)10/h3-4H,1-2H3
InChIKey
JHHKWHVDJFQNNG-UHFFFAOYSA-N
Compound name
1-bromo-4-fluoro-2-methoxy-5-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
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 135.2
[M+Na]+ 240.96348 148.9
[M-H]- 216.96698 141.2
[M+NH4]+ 236.00808 158.1
[M+K]+ 256.93742 138.3
[M+H-H2O]+ 200.97152 135.2
[M+HCOO]- 262.97246 156.7
[M+CH3COO]- 276.98811 186.8
[M+Na-2H]- 238.94893 142.3
[M]+ 217.97371 154.7
[M]- 217.97481 154.7
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