CID 5368941

2614-88-2

Structural Information

Molecular Formula
C6H7ClO
SMILES
C/C=C/C=C/C(=O)Cl
InChI
InChI=1S/C6H7ClO/c1-2-3-4-5-6(7)8/h2-5H,1H3/b3-2+,5-4+
InChIKey
GRTWTVFDPBKQNU-MQQKCMAXSA-N
Compound name
(2E,4E)-hexa-2,4-dienoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

361
Patents

130.01854 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.02582 123.2
[M+Na]+ 153.00776 132.1
[M-H]- 129.01126 123.7
[M+NH4]+ 148.05236 146.3
[M+K]+ 168.98170 128.9
[M+H-H2O]+ 113.01580 120.3
[M+HCOO]- 175.01674 142.5
[M+CH3COO]- 189.03239 169.8
[M+Na-2H]- 150.99321 128.9
[M]+ 130.01799 124.9
[M]- 130.01909 124.9
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