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

1127
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.