CID 121553680

2089523-88-4

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]+ 194.99741 133.3
[M+Na]+ 216.97935 146.6
[M+NH4]+ 212.02395 143.1
[M+K]+ 232.95329 140.7
[M-H]- 192.98285 139.9
[M+Na-2H]- 214.96480 141.4
[M]+ 193.98958 138.7
[M]- 193.99068 138.7
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.