CID 122938

3-chloro-2-methoxypropene

Structural Information

Molecular Formula
C4H7ClO
SMILES
COC(=C)CCl
InChI
InChI=1S/C4H7ClO/c1-4(3-5)6-2/h1,3H2,2H3
InChIKey
YHGBBOXHHMFPBY-UHFFFAOYSA-N
Compound name
3-chloro-2-methoxyprop-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

106.01854 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 107.025816 116.4
[M+Na]+ 129.007758 125.3
[M-H]- 105.011264 117.0
[M+NH4]+ 124.052363 140.4
[M+K]+ 144.981698 123.8
[M+H-H2O]+ 89.015800 113.5
[M+HCOO]- 151.016741 135.8
[M+CH3COO]- 165.032391 167.0
[M+Na-2H]- 126.993206 123.1
[M]+ 106.01799142 118.7
[M]- 106.01908858 118.7
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