CID 70462263

3-(bromomethyl)-1,1-difluoro-2,2-dimethylcyclopropane

Structural Information

Molecular Formula
C6H9BrF2
SMILES
CC1(C(C1(F)F)CBr)C
InChI
InChI=1S/C6H9BrF2/c1-5(2)4(3-7)6(5,8)9/h4H,3H2,1-2H3
InChIKey
CKVBRSQDSYTCQD-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-1,1-difluoro-2,2-dimethylcyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

197.98557 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.99285 135.5
[M+Na]+ 220.97479 138.4
[M+NH4]+ 216.01939 142.6
[M+K]+ 236.94873 137.0
[M-H]- 196.97829 139.3
[M+Na-2H]- 218.96024 141.6
[M]+ 197.98502 137.1
[M]- 197.98612 137.1
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