CID 137067

1-chloro-1-methoxyethane

Structural Information

Molecular Formula
C3H7ClO
SMILES
CC(OC)Cl
InChI
InChI=1S/C3H7ClO/c1-3(4)5-2/h3H,1-2H3
InChIKey
QWELSYQNDFTISP-UHFFFAOYSA-N
Compound name
1-chloro-1-methoxyethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

546
Patents

94.01854 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 95.025816 113.0
[M+Na]+ 117.00776 122.0
[M-H]- 93.011264 113.8
[M+NH4]+ 112.05236 137.6
[M+K]+ 132.98170 121.5
[M+H-H2O]+ 77.015800 110.3
[M+HCOO]- 139.01674 132.6
[M+CH3COO]- 153.03239 165.0
[M+Na-2H]- 114.99321 120.3
[M]+ 94.017991 115.7
[M]- 94.019089 115.7
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