CID 11242

3-chloro-1-butene

Structural Information

Molecular Formula
C4H7Cl
SMILES
CC(C=C)Cl
InChI
InChI=1S/C4H7Cl/c1-3-4(2)5/h3-4H,1H2,2H3
InChIKey
VZGLVCFVUREVDP-UHFFFAOYSA-N
Compound name
3-chlorobut-1-ene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

4
References

2836
Patents

90.02363 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 91.030906 113.3
[M+Na]+ 113.01285 122.2
[M-H]- 89.016354 114.0
[M+NH4]+ 108.05745 138.0
[M+K]+ 128.98679 120.3
[M+H-H2O]+ 73.020890 110.7
[M+HCOO]- 135.02183 132.4
[M+CH3COO]- 149.03748 165.2
[M+Na-2H]- 110.99830 120.1
[M]+ 90.023081 114.2
[M]- 90.024179 114.2
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