CID 2736388

234443-23-3

Structural Information

Molecular Formula
C3BrF4N
SMILES
C(#N)C(C(F)(F)F)(F)Br
InChI
InChI=1S/C3BrF4N/c4-2(5,1-9)3(6,7)8
InChIKey
UYKONJMGEVDWRP-UHFFFAOYSA-N
Compound name
2-bromo-2,3,3,3-tetrafluoropropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

204.91502 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.92230 127.7
[M+Na]+ 227.90424 141.5
[M-H]- 203.90774 126.0
[M+NH4]+ 222.94884 147.8
[M+K]+ 243.87818 131.9
[M+H-H2O]+ 187.91228 119.8
[M+HCOO]- 249.91322 142.6
[M+CH3COO]- 263.92887 193.4
[M+Na-2H]- 225.88969 135.5
[M]+ 204.91447 134.0
[M]- 204.91557 134.0
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

patents stripe