CID 91594

3-chloroallyl alcohol

Structural Information

Molecular Formula
C3H5ClO
SMILES
C(C=CCl)O
InChI
InChI=1S/C3H5ClO/c4-2-1-3-5/h1-2,5H,3H2
InChIKey
HJGHXDNIPAWLLE-UHFFFAOYSA-N
Compound name
3-chloroprop-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

1091
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 112.7
[M+Na]+ 114.99211 121.9
[M-H]- 90.995614 112.0
[M+NH4]+ 110.03671 136.6
[M+K]+ 130.96605 119.3
[M+H-H2O]+ 75.000150 110.3
[M+HCOO]- 137.00109 131.9
[M+CH3COO]- 151.01674 159.8
[M+Na-2H]- 112.97756 120.6
[M]+ 92.002341 113.3
[M]- 92.003439 113.3
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