CID 7856

Chloroacetonitrile

Structural Information

Molecular Formula
C2H2ClN
SMILES
C(C#N)Cl
InChI
InChI=1S/C2H2ClN/c3-1-2-4/h1H2
InChIKey
RENMDAKOXSCIGH-UHFFFAOYSA-N
Compound name
2-chloroacetonitrile
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

55
References

18362
Patents

74.98758 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 75.994856 106.9
[M+Na]+ 97.976798 118.4
[M-H]- 73.980304 108.4
[M+NH4]+ 93.021403 129.8
[M+K]+ 113.95074 116.7
[M+H-H2O]+ 57.984840 97.8
[M+HCOO]- 119.98578 124.5
[M+CH3COO]- 134.00143 174.8
[M+Na-2H]- 95.962246 115.7
[M]+ 74.987031 103.5
[M]- 74.988129 103.5
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.