CID 7835

Epichlorohydrin

Structural Information

Molecular Formula
C3H5ClO
SMILES
C1C(O1)CCl
InChI
InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2
InChIKey
BRLQWZUYTZBJKN-UHFFFAOYSA-N
Compound name
2-(chloromethyl)oxirane
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

1468
References

69741
Patents

92.00289 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 93.010166 111.7
[M+Na]+ 114.99211 122.6
[M-H]- 90.995614 117.3
[M+NH4]+ 110.03671 130.0
[M+K]+ 130.96605 121.8
[M+H-H2O]+ 75.000150 107.1
[M+HCOO]- 137.00109 131.5
[M+CH3COO]- 151.01674 166.5
[M+Na-2H]- 112.97756 121.6
[M]+ 92.002341 116.6
[M]- 92.003439 116.6
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.