CID 45120148

3-bromo-1,1-difluoropropan-2-one

Structural Information

Molecular Formula
C3H3BrF2O
SMILES
C(C(=O)C(F)F)Br
InChI
InChI=1S/C3H3BrF2O/c4-1-2(7)3(5)6/h3H,1H2
InChIKey
MAZRLHAJUPFISK-UHFFFAOYSA-N
Compound name
3-bromo-1,1-difluoropropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

171.93353 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.94081 125.3
[M+Na]+ 194.92275 137.0
[M-H]- 170.92625 126.3
[M+NH4]+ 189.96735 148.9
[M+K]+ 210.89669 127.6
[M+H-H2O]+ 154.93079 124.9
[M+HCOO]- 216.93173 144.0
[M+CH3COO]- 230.94738 177.4
[M+Na-2H]- 192.90820 131.3
[M]+ 171.93298 140.9
[M]- 171.93408 140.9
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