CID 10924480

Deltamethrinic acid

Structural Information

Molecular Formula
C8H10Br2O2
SMILES
CC1([C@H]([C@H]1C(=O)O)C=C(Br)Br)C
InChI
InChI=1S/C8H10Br2O2/c1-8(2)4(3-5(9)10)6(8)7(11)12/h3-4,6H,1-2H3,(H,11,12)/t4-,6-/m0/s1
InChIKey
MDIQXIJPQWLFSD-NJGYIYPDSA-N
Compound name
trans-(1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

18
References

1556
Patents

295.90475 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.912026 144.9
[M+Na]+ 318.893968 157.5
[M-H]- 294.897474 151.7
[M+NH4]+ 313.938573 161.6
[M+K]+ 334.867908 141.1
[M+H-H2O]+ 278.902010 153.2
[M+HCOO]- 340.902951 158.4
[M+CH3COO]- 354.918601 204.3
[M+Na-2H]- 316.879416 149.5
[M]+ 295.90420142 179.2
[M]- 295.90529858 179.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe