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]+ 194.99741 130.5
[M+Na]+ 216.97935 142.0
[M-H]- 192.98285 133.7
[M+NH4]+ 212.02395 148.0
[M+K]+ 232.95329 136.9
[M+H-H2O]+ 176.98739 128.8
[M+HCOO]- 238.98833 143.1
[M+CH3COO]- 253.00398 182.2
[M+Na-2H]- 214.96480 135.0
[M]+ 193.98958 135.7
[M]- 193.99068 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.