CID 6440946

Chloromaleonitrile

Structural Information

Molecular Formula
C4HClN2
SMILES
C(=C(\C#N)/Cl)\C#N
InChI
InChI=1S/C4HClN2/c5-4(3-7)1-2-6/h1H/b4-1+
InChIKey
VXBAYIAWNLPBHU-DAFODLJHSA-N
Compound name
(E)-2-chlorobut-2-enedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

111.98283 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.99011 134.6
[M+Na]+ 134.97205 145.2
[M-H]- 110.97555 137.3
[M+NH4]+ 130.01665 150.3
[M+K]+ 150.94599 142.6
[M+H-H2O]+ 94.980090 121.7
[M+HCOO]- 156.98103 144.9
[M+CH3COO]- 170.99668 204.9
[M+Na-2H]- 132.95750 138.2
[M]+ 111.98228 127.4
[M]- 111.98338 127.4
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