CID 53633391

78246-90-9

Structural Information

Molecular Formula
C9H9Cl2F3O
SMILES
CC1(C(C1C(=O)Cl)C=C(C(F)(F)F)Cl)C
InChI
InChI=1S/C9H9Cl2F3O/c1-8(2)4(6(8)7(11)15)3-5(10)9(12,13)14/h3-4,6H,1-2H3
InChIKey
ABALMDTULZCSTP-UHFFFAOYSA-N
Compound name
3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

106
Patents

259.99826 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.00554 135.8
[M+Na]+ 282.98748 147.0
[M-H]- 258.99098 136.4
[M+NH4]+ 278.03208 151.4
[M+K]+ 298.96142 141.5
[M+H-H2O]+ 242.99552 131.3
[M+HCOO]- 304.99646 143.8
[M+CH3COO]- 319.01211 196.6
[M+Na-2H]- 280.97293 138.3
[M]+ 259.99771 137.8
[M]- 259.99881 137.8
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