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

9
Patents

189.93552 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.94280 129.8
[M+Na]+ 212.92474 138.8
[M-H]- 188.92824 128.9
[M+NH4]+ 207.96934 150.5
[M+K]+ 228.89868 135.2
[M+H-H2O]+ 172.93278 128.5
[M+HCOO]- 234.93372 138.2
[M+CH3COO]- 248.94937 179.9
[M+Na-2H]- 210.91019 133.6
[M]+ 189.93497 133.7
[M]- 189.93607 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