CID 72218513

2-bromo-1-(2,2-difluorocyclopropyl)ethan-1-one

Structural Information

Molecular Formula
C5H5BrF2O
SMILES
C1C(C1(F)F)C(=O)CBr
InChI
InChI=1S/C5H5BrF2O/c6-2-4(9)3-1-5(3,7)8/h3H,1-2H2
InChIKey
MQTZMYKVBVLRHW-UHFFFAOYSA-N
Compound name
2-bromo-1-(2,2-difluorocyclopropyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.94917 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.95645 129.9
[M+Na]+ 220.93839 144.2
[M-H]- 196.94189 135.4
[M+NH4]+ 215.98299 150.0
[M+K]+ 236.91233 133.8
[M+H-H2O]+ 180.94643 129.6
[M+HCOO]- 242.94737 149.1
[M+CH3COO]- 256.96302 184.6
[M+Na-2H]- 218.92384 137.1
[M]+ 197.94862 148.2
[M]- 197.94972 148.2
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.