CID 6474160

(z)-3-chloro-3-(2,3,4,6-tetramethylphenyl)prop-2-enoic acid

Structural Information

Molecular Formula
C13H15ClO2
SMILES
CC1=CC(=C(C(=C1C)C)/C(=C/C(=O)O)/Cl)C
InChI
InChI=1S/C13H15ClO2/c1-7-5-8(2)13(10(4)9(7)3)11(14)6-12(15)16/h5-6H,1-4H3,(H,15,16)/b11-6-
InChIKey
UWSPLGKQJSNJNX-WDZFZDKYSA-N
Compound name
(Z)-3-chloro-3-(2,3,4,6-tetramethylphenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.07605 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.08333 148.9
[M+Na]+ 261.06527 158.9
[M-H]- 237.06877 152.1
[M+NH4]+ 256.10987 167.9
[M+K]+ 277.03921 154.1
[M+H-H2O]+ 221.07331 145.1
[M+HCOO]- 283.07425 165.1
[M+CH3COO]- 297.08990 192.7
[M+Na-2H]- 259.05072 149.2
[M]+ 238.07550 152.2
[M]- 238.07660 152.2
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.