CID 12942378

Methyl (z)-3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropane-1-carboxylate

Structural Information

Molecular Formula
C10H12ClF3O2
SMILES
CC1(C(C1C(=O)OC)/C=C(/C(F)(F)F)\Cl)C
InChI
InChI=1S/C10H12ClF3O2/c1-9(2)5(7(9)8(15)16-3)4-6(11)10(12,13)14/h4-5,7H,1-3H3/b6-4-
InChIKey
ZRLLIXSRKOMDAU-XQRVVYSFSA-N
Compound name
methyl 3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

148
Patents

256.0478 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.05508 141.4
[M+Na]+ 279.03702 152.4
[M-H]- 255.04052 142.7
[M+NH4]+ 274.08162 156.9
[M+K]+ 295.01096 148.4
[M+H-H2O]+ 239.04506 136.1
[M+HCOO]- 301.04600 154.1
[M+CH3COO]- 315.06165 196.4
[M+Na-2H]- 277.02247 144.0
[M]+ 256.04725 144.4
[M]- 256.04835 144.4
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

patents stripe