CID 11536

590-21-6

Structural Information

Molecular Formula
C3H5Cl
SMILES
CC=CCl
InChI
InChI=1S/C3H5Cl/c1-2-3-4/h2-3H,1H3
InChIKey
OWXJKYNZGFSVRC-UHFFFAOYSA-N
Compound name
1-chloroprop-1-ene
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

2
References

13123
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.