CID 13305542

1,3-dichloropropan-2-yl chloroformate

Structural Information

Molecular Formula
C4H5Cl3O2
SMILES
C(C(CCl)OC(=O)Cl)Cl
InChI
InChI=1S/C4H5Cl3O2/c5-1-3(2-6)9-4(7)8/h3H,1-2H2
InChIKey
WPRAJCBWNFZEAS-UHFFFAOYSA-N
Compound name
1,3-dichloropropan-2-yl carbonochloridate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

189.93552 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.942796 129.8
[M+Na]+ 212.924738 138.8
[M-H]- 188.928244 128.9
[M+NH4]+ 207.969343 150.5
[M+K]+ 228.898678 135.2
[M+H-H2O]+ 172.932780 128.5
[M+HCOO]- 234.933721 138.2
[M+CH3COO]- 248.949371 179.9
[M+Na-2H]- 210.910186 133.6
[M]+ 189.93497142 133.7
[M]- 189.93606858 133.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe