CID 121553680

Rac-3-[(1r,3r)-2,2-dichloro-3-methylcyclopropyl]prop-2-enoic acid

Structural Information

Molecular Formula
C7H8Cl2O2
SMILES
C[C@@H]1[C@H](C1(Cl)Cl)/C=C/C(=O)O
InChI
InChI=1S/C7H8Cl2O2/c1-4-5(7(4,8)9)2-3-6(10)11/h2-5H,1H3,(H,10,11)/b3-2+/t4-,5-/m1/s1
InChIKey
JZLAOOIDMOZRQB-BKDNXVRYSA-N
Compound name
(E)-3-[(1R,3R)-2,2-dichloro-3-methylcyclopropyl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.99013 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.997406 130.5
[M+Na]+ 216.979348 142.0
[M-H]- 192.982854 133.7
[M+NH4]+ 212.023953 148.0
[M+K]+ 232.953288 136.9
[M+H-H2O]+ 176.987390 128.8
[M+HCOO]- 238.988331 143.1
[M+CH3COO]- 253.003981 182.2
[M+Na-2H]- 214.964796 135.0
[M]+ 193.98958142 135.7
[M]- 193.99067858 135.7
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.