CID 12316

2-chloroethyl methyl ether

Structural Information

Molecular Formula
C3H7ClO
SMILES
COCCCl
InChI
InChI=1S/C3H7ClO/c1-5-3-2-4/h2-3H2,1H3
InChIKey
XTIGGAHUZJWQMD-UHFFFAOYSA-N
Compound name
1-chloro-2-methoxyethane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

5
References

5380
Patents

94.01854 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 95.025816 113.0
[M+Na]+ 117.00776 122.2
[M-H]- 93.011264 113.6
[M+NH4]+ 112.05236 137.5
[M+K]+ 132.98170 121.2
[M+H-H2O]+ 77.015800 110.2
[M+HCOO]- 139.01674 133.4
[M+CH3COO]- 153.03239 164.2
[M+Na-2H]- 114.99321 121.4
[M]+ 94.017991 116.3
[M]- 94.019089 116.3
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