CID 114885348

1601168-98-2

Structural Information

Molecular Formula
C11H10BrFO
SMILES
C1CC1CC(=O)C2=C(C=CC=C2Br)F
InChI
InChI=1S/C11H10BrFO/c12-8-2-1-3-9(13)11(8)10(14)6-7-4-5-7/h1-3,7H,4-6H2
InChIKey
DIXWANMLIUOYOQ-UHFFFAOYSA-N
Compound name
1-(2-bromo-6-fluorophenyl)-2-cyclopropylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.98991 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.99719 146.2
[M+Na]+ 278.97913 159.5
[M-H]- 254.98263 155.2
[M+NH4]+ 274.02373 162.6
[M+K]+ 294.95307 147.6
[M+H-H2O]+ 238.98717 144.8
[M+HCOO]- 300.98811 166.7
[M+CH3COO]- 315.00376 195.4
[M+Na-2H]- 276.96458 151.7
[M]+ 255.98936 165.4
[M]- 255.99046 165.4
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

No patent data available for this compound.