CID 13537532

2-bromo-2-fluoroacetonitrile

Structural Information

Molecular Formula
C2HBrFN
SMILES
C(#N)C(F)Br
InChI
InChI=1S/C2HBrFN/c3-2(4)1-5/h2H
InChIKey
PABLWEPPFMSACN-UHFFFAOYSA-N
Compound name
2-bromo-2-fluoroacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

136.92764 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.93492 111.1
[M+Na]+ 159.91686 124.8
[M-H]- 135.92036 112.8
[M+NH4]+ 154.96146 133.8
[M+K]+ 175.89080 115.8
[M+H-H2O]+ 119.92490 105.1
[M+HCOO]- 181.92584 130.9
[M+CH3COO]- 195.94149 184.4
[M+Na-2H]- 157.90231 119.7
[M]+ 136.92709 121.3
[M]- 136.92819 121.3
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