CID 74666

Dibromomalononitrile

Structural Information

Molecular Formula
C3Br2N2
SMILES
C(#N)C(C#N)(Br)Br
InChI
InChI=1S/C3Br2N2/c4-3(5,1-6)2-7
InChIKey
LUNYYTDCIRGSDM-UHFFFAOYSA-N
Compound name
2,2-dibromopropanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

221.84282 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.85010 121.4
[M+Na]+ 244.83204 133.6
[M-H]- 220.83554 122.8
[M+NH4]+ 239.87664 135.5
[M+K]+ 260.80598 121.9
[M+H-H2O]+ 204.84008 118.2
[M+HCOO]- 266.84102 135.8
[M+CH3COO]- 280.85667 219.5
[M+Na-2H]- 242.81749 128.1
[M]+ 221.84227 136.7
[M]- 221.84337 136.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe