CID 13601447

2-chloro-1,5-hexadiene

Structural Information

Molecular Formula
C6H9Cl
SMILES
C=CCCC(=C)Cl
InChI
InChI=1S/C6H9Cl/c1-3-4-5-6(2)7/h3H,1-2,4-5H2
InChIKey
MBBJLMQTIJDBCM-UHFFFAOYSA-N
Compound name
2-chlorohexa-1,5-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

116.039276 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.04655 121.3
[M+Na]+ 139.02849 129.7
[M-H]- 115.03200 121.7
[M+NH4]+ 134.07310 144.9
[M+K]+ 155.00243 126.6
[M+H-H2O]+ 99.036536 118.4
[M+HCOO]- 161.03748 140.0
[M+CH3COO]- 175.05313 170.3
[M+Na-2H]- 137.01394 127.0
[M]+ 116.03873 122.3
[M]- 116.03982 122.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe