CID 4380508

103754-42-3

Structural Information

Molecular Formula
C10H8Cl2O2
SMILES
CC(=CC1=C(C=C(C=C1)Cl)Cl)C(=O)O
InChI
InChI=1S/C10H8Cl2O2/c1-6(10(13)14)4-7-2-3-8(11)5-9(7)12/h2-5H,1H3,(H,13,14)
InChIKey
RRFQDBWWFNMLQO-UHFFFAOYSA-N
Compound name
3-(2,4-dichlorophenyl)-2-methylprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

229.99013 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.997406 142.4
[M+Na]+ 252.979348 152.1
[M-H]- 228.982854 144.6
[M+NH4]+ 248.023953 161.4
[M+K]+ 268.953288 146.4
[M+H-H2O]+ 212.987390 139.3
[M+HCOO]- 274.988331 154.6
[M+CH3COO]- 289.003981 185.9
[M+Na-2H]- 250.964796 144.8
[M]+ 229.98958142 144.9
[M]- 229.99067858 144.9
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

patents stripe