CID 25059

2,2-dibromo-2-cyanoacetamide

Structural Information

Molecular Formula
C3H2Br2N2O
SMILES
C(#N)C(C(=O)N)(Br)Br
InChI
InChI=1S/C3H2Br2N2O/c4-3(5,1-6)2(7)8/h(H2,7,8)
InChIKey
UUIVKBHZENILKB-UHFFFAOYSA-N
Compound name
2,2-dibromo-2-cyanoacetamide
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

19
References

8093
Patents

239.8534 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.86068 123.7
[M+Na]+ 262.84262 135.7
[M-H]- 238.84612 125.5
[M+NH4]+ 257.88722 141.7
[M+K]+ 278.81656 120.6
[M+H-H2O]+ 222.85066 124.5
[M+HCOO]- 284.85160 140.0
[M+CH3COO]- 298.86725 205.3
[M+Na-2H]- 260.82807 131.0
[M]+ 239.85285 148.1
[M]- 239.85395 148.1
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