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 126.9
[M+Na]+ 169.00268 135.1
[M-H]- 145.00618 126.0
[M+NH4]+ 164.04728 148.5
[M+K]+ 184.97662 131.8
[M+H-H2O]+ 129.01072 124.0
[M+HCOO]- 191.01166 143.9
[M+CH3COO]- 205.02731 169.9
[M+Na-2H]- 166.98813 130.7
[M]+ 146.01291 127.4
[M]- 146.01401 127.4
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.