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

15059
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

literature stripe

Patent stripe

patents stripe