CID 15676292

(z)-3-chloroprop-1-en-1-ol

Structural Information

Molecular Formula
C3H5ClO
SMILES
C(/C=C\O)Cl
InChI
InChI=1S/C3H5ClO/c4-2-1-3-5/h1,3,5H,2H2/b3-1-
InChIKey
NUFHKADPPUOUFS-IWQZZHSRSA-N
Compound name
(Z)-3-chloroprop-1-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

137
Patents

92.00289 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 93.010166 112.7
[M+Na]+ 114.992108 121.9
[M-H]- 90.995614 112.0
[M+NH4]+ 110.036713 136.6
[M+K]+ 130.966048 119.3
[M+H-H2O]+ 75.000150 110.3
[M+HCOO]- 137.001091 131.9
[M+CH3COO]- 151.016741 159.8
[M+Na-2H]- 112.977556 120.6
[M]+ 92.00234142 113.3
[M]- 92.00343858 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

patents stripe