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]+ 198.992846 128.9
[M+Na]+ 220.974788 144.3
[M-H]- 196.978294 135.0
[M+NH4]+ 216.019393 151.3
[M+K]+ 236.948728 134.5
[M+H-H2O]+ 180.982830 130.0
[M+HCOO]- 242.983771 148.1
[M+CH3COO]- 256.999421 186.6
[M+Na-2H]- 218.960236 137.5
[M]+ 197.98502142 148.3
[M]- 197.98611858 148.3
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