CID 5463507

1-chloro-1-butene

Structural Information

Molecular Formula
C4H7Cl
SMILES
CC/C=C/Cl
InChI
InChI=1S/C4H7Cl/c1-2-3-4-5/h3-4H,2H2,1H3/b4-3+
InChIKey
DUDKKPVINWLFBI-ONEGZZNKSA-N
Compound name
(E)-1-chlorobut-1-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

545
Patents

90.02363 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 91.030906 113.5
[M+Na]+ 113.01285 122.7
[M-H]- 89.016354 114.1
[M+NH4]+ 108.05745 138.3
[M+K]+ 128.98679 120.4
[M+H-H2O]+ 73.020890 110.8
[M+HCOO]- 135.02183 133.6
[M+CH3COO]- 149.03748 163.7
[M+Na-2H]- 110.99830 121.5
[M]+ 90.023081 114.9
[M]- 90.024179 114.9
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