CID 5243905

Chloro[2-(trifluoromethyl)phenyl]methyl carbonochloridate

Structural Information

Molecular Formula
C9H5Cl2F3O2
SMILES
C1=CC=C(C(=C1)C(OC(=O)Cl)Cl)C(F)(F)F
InChI
InChI=1S/C9H5Cl2F3O2/c10-7(16-8(11)15)5-3-1-2-4-6(5)9(12,13)14/h1-4,7H
InChIKey
KQELEQGMABOYIM-UHFFFAOYSA-N
Compound name
[chloro-[2-(trifluoromethyl)phenyl]methyl] carbonochloridate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

271.96188 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.96916 144.7
[M+Na]+ 294.95110 154.7
[M-H]- 270.95460 144.4
[M+NH4]+ 289.99570 162.5
[M+K]+ 310.92504 149.8
[M+H-H2O]+ 254.95914 138.6
[M+HCOO]- 316.96008 153.9
[M+CH3COO]- 330.97573 192.9
[M+Na-2H]- 292.93655 148.0
[M]+ 271.96133 145.3
[M]- 271.96243 145.3
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