CID 168440238

Schembl25385511

Structural Information

Molecular Formula
C9H8BrFO
SMILES
C1CC1OC2=C(C(=CC=C2)Br)F
InChI
InChI=1S/C9H8BrFO/c10-7-2-1-3-8(9(7)11)12-6-4-5-6/h1-3,6H,4-5H2
InChIKey
MFJIDMXBFMLOIY-UHFFFAOYSA-N
Compound name
1-bromo-3-cyclopropyloxy-2-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

229.97426 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.98154 138.9
[M+Na]+ 252.96348 153.0
[M-H]- 228.96698 148.1
[M+NH4]+ 248.00808 156.4
[M+K]+ 268.93742 141.8
[M+H-H2O]+ 212.97152 137.7
[M+HCOO]- 274.97246 160.7
[M+CH3COO]- 288.98811 190.1
[M+Na-2H]- 250.94893 146.5
[M]+ 229.97371 158.6
[M]- 229.97481 158.6
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