CID 18617

Dibromoacetonitrile

Structural Information

Molecular Formula
C2HBr2N
SMILES
C(#N)C(Br)Br
InChI
InChI=1S/C2HBr2N/c3-2(4)1-5/h2H
InChIKey
NDSBDLSWTGLNQA-UHFFFAOYSA-N
Compound name
2,2-dibromoacetonitrile
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

49
References

374
Patents

196.84756 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.85484 108.4
[M+Na]+ 219.83678 121.6
[M-H]- 195.84028 111.0
[M+NH4]+ 214.88138 128.5
[M+K]+ 235.81072 107.2
[M+H-H2O]+ 179.84482 110.7
[M+HCOO]- 241.84576 126.1
[M+CH3COO]- 255.86141 199.7
[M+Na-2H]- 217.82223 117.6
[M]+ 196.84701 134.2
[M]- 196.84811 134.2
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.