CID 11245

1,1-dichloropropene

Structural Information

Molecular Formula
C3H4Cl2
SMILES
CC=C(Cl)Cl
InChI
InChI=1S/C3H4Cl2/c1-2-3(4)5/h2H,1H3
InChIKey
ZAIDIVBQUMFXEC-UHFFFAOYSA-N
Compound name
1,1-dichloroprop-1-ene
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

8
References

2960
Patents

109.969 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.97628 114.8
[M+Na]+ 132.95822 128.0
[M+NH4]+ 128.00282 124.6
[M+K]+ 148.93216 121.1
[M-H]- 108.96172 115.1
[M+Na-2H]- 130.94367 120.6
[M]+ 109.96845 117.3
[M]- 109.96955 117.3
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