CID 146082306

3-bromo-2,2-difluoropropanenitrile

Structural Information

Molecular Formula
C3H2BrF2N
SMILES
C(C(C#N)(F)F)Br
InChI
InChI=1S/C3H2BrF2N/c4-1-3(5,6)2-7/h1H2
InChIKey
DHRANMIHJPPKFS-UHFFFAOYSA-N
Compound name
3-bromo-2,2-difluoropropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.93387 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.94115 119.7
[M+Na]+ 191.92309 133.4
[M-H]- 167.92659 120.1
[M+NH4]+ 186.96769 141.2
[M+K]+ 207.89703 123.9
[M+H-H2O]+ 151.93113 113.0
[M+HCOO]- 213.93207 137.7
[M+CH3COO]- 227.94772 188.8
[M+Na-2H]- 189.90854 128.4
[M]+ 168.93332 129.1
[M]- 168.93442 129.1
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

No patent data available for this compound.