CID 74970

1,1-dichlorocyclopropane

Structural Information

Molecular Formula
C3H4Cl2
SMILES
C1CC1(Cl)Cl
InChI
InChI=1S/C3H4Cl2/c4-3(5)1-2-3/h1-2H2
InChIKey
MZJYQXPULRLGCA-UHFFFAOYSA-N
Compound name
1,1-dichlorocyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3411
Patents

109.969 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.97628 112.2
[M+Na]+ 132.95822 123.5
[M-H]- 108.96172 116.5
[M+NH4]+ 128.00282 133.0
[M+K]+ 148.93216 120.7
[M+H-H2O]+ 92.966260 109.7
[M+HCOO]- 154.96720 127.5
[M+CH3COO]- 168.98285 169.4
[M+Na-2H]- 130.94367 121.3
[M]+ 109.96845 115.8
[M]- 109.96955 115.8
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