CID 71102275

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

217.97426 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.981536 135.2
[M+Na]+ 240.963478 148.9
[M-H]- 216.966984 141.2
[M+NH4]+ 236.008083 158.1
[M+K]+ 256.937418 138.3
[M+H-H2O]+ 200.971520 135.2
[M+HCOO]- 262.972461 156.7
[M+CH3COO]- 276.988111 186.8
[M+Na-2H]- 238.948926 142.3
[M]+ 217.97371142 154.7
[M]- 217.97480858 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