CID 39041

5-chloro-1,3-cyclopentadiene

Structural Information

Molecular Formula
C5H5Cl
SMILES
C1=CC(C=C1)Cl
InChI
InChI=1S/C5H5Cl/c6-5-3-1-2-4-5/h1-5H
InChIKey
GWHRPSOIZQENQQ-UHFFFAOYSA-N
Compound name
5-chlorocyclopenta-1,3-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

203
Patents

100.00798 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.01526 115.0
[M+Na]+ 122.99720 124.8
[M-H]- 99.000704 118.8
[M+NH4]+ 118.04180 140.8
[M+K]+ 138.97114 122.1
[M+H-H2O]+ 83.005240 111.1
[M+HCOO]- 145.00618 136.8
[M+CH3COO]- 159.02183 163.6
[M+Na-2H]- 120.98265 122.5
[M]+ 100.00743 115.8
[M]- 100.00853 115.8
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