CID 80676188

3-bromo-1-(2,2-difluoroethyl)pyrrolidine

Structural Information

Molecular Formula
C6H10BrF2N
SMILES
C1CN(CC1Br)CC(F)F
InChI
InChI=1S/C6H10BrF2N/c7-5-1-2-10(3-5)4-6(8)9/h5-6H,1-4H2
InChIKey
VGLWDLPGBUVTTH-UHFFFAOYSA-N
Compound name
3-bromo-1-(2,2-difluoroethyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.99648 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.00376 141.7
[M+Na]+ 235.98570 152.4
[M-H]- 211.98920 143.8
[M+NH4]+ 231.03030 164.3
[M+K]+ 251.95964 142.3
[M+H-H2O]+ 195.99374 140.1
[M+HCOO]- 257.99468 158.4
[M+CH3COO]- 272.01033 183.8
[M+Na-2H]- 233.97115 144.8
[M]+ 212.99593 155.0
[M]- 212.99703 155.0
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

No patent data available for this compound.