CID 24227

Dichloroacetylene

Structural Information

Molecular Formula
C2Cl2
SMILES
C(#CCl)Cl
InChI
InChI=1S/C2Cl2/c3-1-2-4
InChIKey
ZMJOVJSTYLQINE-UHFFFAOYSA-N
Compound name
1,2-dichloroethyne
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

29
References

1066
Patents

93.937706 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 94.944982 108.4
[M+Na]+ 116.92692 121.0
[M-H]- 92.930430 108.3
[M+NH4]+ 111.97153 130.7
[M+K]+ 132.90086 116.7
[M+H-H2O]+ 76.934966 101.0
[M+HCOO]- 138.93591 119.4
[M+CH3COO]- 152.95156 172.9
[M+Na-2H]- 114.91237 116.2
[M]+ 93.937157 104.9
[M]- 93.938255 104.9
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