CID 12525236

Decamethrinic acid

Structural Information

Molecular Formula
C8H10Br2O2
SMILES
CC1([C@@H](C1C=C(Br)Br)C(=O)O)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-RZKHNPSRSA-N
Compound name
(1R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

18
References

1314
Patents

295.90475 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.91203 144.9
[M+Na]+ 318.89397 157.5
[M-H]- 294.89747 151.7
[M+NH4]+ 313.93857 161.6
[M+K]+ 334.86791 141.1
[M+H-H2O]+ 278.90201 153.2
[M+HCOO]- 340.90295 158.4
[M+CH3COO]- 354.91860 204.3
[M+Na-2H]- 316.87942 149.5
[M]+ 295.90420 179.2
[M]- 295.90530 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