CID 119084288

Ns00133611

Structural Information

Molecular Formula
C7H9ClO3
SMILES
COC(C1=CC=C(O1)Cl)OC
InChI
InChI=1S/C7H9ClO3/c1-9-7(10-2)5-3-4-6(8)11-5/h3-4,7H,1-2H3
InChIKey
IKJWFBAAMLTMQH-UHFFFAOYSA-N
Compound name
2-chloro-5-(dimethoxymethyl)furan
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.02402 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.031296 132.7
[M+Na]+ 199.013238 142.2
[M-H]- 175.016744 137.4
[M+NH4]+ 194.057843 154.4
[M+K]+ 214.987178 141.8
[M+H-H2O]+ 159.021280 128.6
[M+HCOO]- 221.022221 152.8
[M+CH3COO]- 235.037871 177.2
[M+Na-2H]- 196.998686 138.3
[M]+ 176.02347142 139.1
[M]- 176.02456858 139.1
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

No patent data available for this compound.