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

70349
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]+ 114.992108 122.6
[M-H]- 90.995614 117.3
[M+NH4]+ 110.036713 130.0
[M+K]+ 130.966048 121.8
[M+H-H2O]+ 75.000150 107.1
[M+HCOO]- 137.001091 131.5
[M+CH3COO]- 151.016741 166.5
[M+Na-2H]- 112.977556 121.6
[M]+ 92.00234142 116.6
[M]- 92.00343858 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

literature stripe

Patent stripe

patents stripe