CID 12637089

2-bromo-1,1-difluorocyclopropane

Structural Information

Molecular Formula
C3H3BrF2
SMILES
C1C(C1(F)F)Br
InChI
InChI=1S/C3H3BrF2/c4-2-1-3(2,5)6/h2H,1H2
InChIKey
UOMKSEBQTJOQJN-UHFFFAOYSA-N
Compound name
2-bromo-1,1-difluorocyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

155.93861 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.94589 119.2
[M+Na]+ 178.92783 134.4
[M-H]- 154.93133 125.0
[M+NH4]+ 173.97243 141.1
[M+K]+ 194.90177 124.5
[M+H-H2O]+ 138.93587 119.2
[M+HCOO]- 200.93681 139.7
[M+CH3COO]- 214.95246 177.7
[M+Na-2H]- 176.91328 128.7
[M]+ 155.93806 136.7
[M]- 155.93916 136.7
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