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]+ 147.020736 126.9
[M+Na]+ 169.002678 135.1
[M-H]- 145.006184 126.0
[M+NH4]+ 164.047283 148.5
[M+K]+ 184.976618 131.8
[M+H-H2O]+ 129.010720 124.0
[M+HCOO]- 191.011661 143.9
[M+CH3COO]- 205.027311 169.9
[M+Na-2H]- 166.988126 130.7
[M]+ 146.01291142 127.4
[M]- 146.01400858 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.