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 128.9
[M+Na]+ 220.97479 144.3
[M-H]- 196.97829 135.0
[M+NH4]+ 216.01939 151.3
[M+K]+ 236.94873 134.5
[M+H-H2O]+ 180.98283 130.0
[M+HCOO]- 242.98377 148.1
[M+CH3COO]- 256.99942 186.6
[M+Na-2H]- 218.96024 137.5
[M]+ 197.98502 148.3
[M]- 197.98612 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