CID 56846898

1-bromo-2-(cyclopropylmethoxy)-5-fluoro-4-methoxybenzene

Structural Information

Molecular Formula
C11H12BrFO2
SMILES
COC1=CC(=C(C=C1F)Br)OCC2CC2
InChI
InChI=1S/C11H12BrFO2/c1-14-11-5-10(8(12)4-9(11)13)15-6-7-2-3-7/h4-5,7H,2-3,6H2,1H3
InChIKey
JUKWSTBUVLXEHR-UHFFFAOYSA-N
Compound name
1-bromo-2-(cyclopropylmethoxy)-5-fluoro-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

274.00046 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.00774 150.5
[M+Na]+ 296.98968 164.4
[M-H]- 272.99318 159.6
[M+NH4]+ 292.03428 166.5
[M+K]+ 312.96362 153.0
[M+H-H2O]+ 256.99772 148.9
[M+HCOO]- 318.99866 171.7
[M+CH3COO]- 333.01431 198.3
[M+Na-2H]- 294.97513 156.3
[M]+ 273.99991 172.5
[M]- 274.00101 172.5
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