CID 245868

Propane, 1,3-dichloro-2,2-dimethoxy-

Structural Information

Molecular Formula
C5H10Cl2O2
SMILES
COC(CCl)(CCl)OC
InChI
InChI=1S/C5H10Cl2O2/c1-8-5(3-6,4-7)9-2/h3-4H2,1-2H3
InChIKey
DCCLFWPTDCYHBZ-UHFFFAOYSA-N
Compound name
1,3-dichloro-2,2-dimethoxypropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

172.00578 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.013056 131.0
[M+Na]+ 194.994998 140.2
[M-H]- 170.998504 131.1
[M+NH4]+ 190.039603 152.8
[M+K]+ 210.968938 137.6
[M+H-H2O]+ 155.003040 128.8
[M+HCOO]- 217.003981 144.4
[M+CH3COO]- 231.019631 177.3
[M+Na-2H]- 192.980446 138.1
[M]+ 172.00523142 136.8
[M]- 172.00632858 136.8
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