CID 2780300

2,2-dichlorocyclopropane-1-carbonitrile

Structural Information

Molecular Formula
C4H3Cl2N
SMILES
C1C(C1(Cl)Cl)C#N
InChI
InChI=1S/C4H3Cl2N/c5-4(6)1-3(4)2-7/h3H,1H2
InChIKey
IJLYMTQCOCSZAM-UHFFFAOYSA-N
Compound name
2,2-dichlorocyclopropane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

134.96425 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.97153 114.0
[M+Na]+ 157.95347 132.1
[M-H]- 133.95697 120.5
[M+NH4]+ 152.99807 134.2
[M+K]+ 173.92741 125.0
[M+H-H2O]+ 117.96151 108.3
[M+HCOO]- 179.96245 128.6
[M+CH3COO]- 193.97810 186.9
[M+Na-2H]- 155.93892 123.8
[M]+ 134.96370 115.5
[M]- 134.96480 115.5
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