CID 5463022

4461-41-0

Structural Information

Molecular Formula
C4H7Cl
SMILES
C/C=C(/C)\Cl
InChI
InChI=1S/C4H7Cl/c1-3-4(2)5/h3H,1-2H3/b4-3-
InChIKey
DSDHFHLZEFQSFM-ARJAWSKDSA-N
Compound name
(Z)-2-chlorobut-2-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1485
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]+ 113.012848 122.5
[M-H]- 89.016354 114.2
[M+NH4]+ 108.057453 138.2
[M+K]+ 128.986788 120.6
[M+H-H2O]+ 73.020890 110.9
[M+HCOO]- 135.021831 132.6
[M+CH3COO]- 149.037481 164.5
[M+Na-2H]- 110.998296 120.2
[M]+ 90.02308142 114.3
[M]- 90.02417858 114.3
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