CID 5284364

1-chloro-1-propene

Structural Information

Molecular Formula
C3H5Cl
SMILES
C/C=C/Cl
InChI
InChI=1S/C3H5Cl/c1-2-3-4/h2-3H,1H3/b3-2+
InChIKey
OWXJKYNZGFSVRC-NSCUHMNNSA-N
Compound name
(E)-1-chloroprop-1-ene
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

10142
Patents

76.00798 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 77.015256 108.7
[M+Na]+ 98.997198 118.3
[M-H]- 75.000704 109.5
[M+NH4]+ 94.041803 134.1
[M+K]+ 114.97114 116.4
[M+H-H2O]+ 59.005240 106.3
[M+HCOO]- 121.00618 129.2
[M+CH3COO]- 135.02183 160.7
[M+Na-2H]- 96.982646 117.3
[M]+ 76.007431 109.8
[M]- 76.008529 109.8
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