CID 23435871

2-bromo-1-cyclopropyl-2-(2-fluorophenyl)ethanone

Structural Information

Molecular Formula
C11H10BrFO
SMILES
C1CC1C(=O)C(C2=CC=CC=C2F)Br
InChI
InChI=1S/C11H10BrFO/c12-10(11(14)7-5-6-7)8-3-1-2-4-9(8)13/h1-4,7,10H,5-6H2
InChIKey
LMCZCCDXOZGIND-UHFFFAOYSA-N
Compound name
2-bromo-1-cyclopropyl-2-(2-fluorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

189
Patents

255.98991 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.99719 146.6
[M+Na]+ 278.97913 158.8
[M-H]- 254.98263 155.3
[M+NH4]+ 274.02373 162.6
[M+K]+ 294.95307 147.3
[M+H-H2O]+ 238.98717 145.1
[M+HCOO]- 300.98811 166.2
[M+CH3COO]- 315.00376 195.2
[M+Na-2H]- 276.96458 151.6
[M]+ 255.98936 164.8
[M]- 255.99046 164.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe