CID 6436376

10524-07-9

Structural Information

Molecular Formula
C5H9Cl
SMILES
C/C=C/CCCl
InChI
InChI=1S/C5H9Cl/c1-2-3-4-5-6/h2-3H,4-5H2,1H3/b3-2+
InChIKey
QTRJVMJEBVLXOK-NSCUHMNNSA-N
Compound name
(E)-5-chloropent-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

104.039276 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.04655 118.2
[M+Na]+ 127.02849 127.0
[M-H]- 103.03200 118.6
[M+NH4]+ 122.07310 142.4
[M+K]+ 143.00243 124.4
[M+H-H2O]+ 87.036536 115.3
[M+HCOO]- 149.03748 138.0
[M+CH3COO]- 163.05313 166.7
[M+Na-2H]- 125.01394 125.6
[M]+ 104.03873 120.0
[M]- 104.03982 120.0
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