CID 6366618

4-chlorohexa-2,4-dienoic acid

Structural Information

Molecular Formula
C6H7ClO2
SMILES
C/C=C(/C=C/C(=O)O)\Cl
InChI
InChI=1S/C6H7ClO2/c1-2-5(7)3-4-6(8)9/h2-4H,1H3,(H,8,9)/b4-3+,5-2-
InChIKey
FBHZRIIRIRXHEM-QSDRKMMISA-N
Compound name
(2E,4Z)-4-chlorohexa-2,4-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

146.01346 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.02074 127.9
[M+Na]+ 169.00268 138.2
[M+NH4]+ 164.04728 135.0
[M+K]+ 184.97662 133.2
[M-H]- 145.00618 125.8
[M+Na-2H]- 166.98813 130.6
[M]+ 146.01291 128.7
[M]- 146.01401 128.7
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

No patent data available for this compound.