CID 58870118

869676-40-4

Structural Information

Molecular Formula
C8H4ClF3O2
SMILES
C1=CC=C(C(=C1)C(F)(F)F)OC(=O)Cl
InChI
InChI=1S/C8H4ClF3O2/c9-7(13)14-6-4-2-1-3-5(6)8(10,11)12/h1-4H
InChIKey
LWAIYGCOHDGJDG-UHFFFAOYSA-N
Compound name
[2-(trifluoromethyl)phenyl] carbonochloridate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

223.9852 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.992476 136.6
[M+Na]+ 246.974418 146.9
[M-H]- 222.977924 136.9
[M+NH4]+ 242.019023 155.9
[M+K]+ 262.948358 143.3
[M+H-H2O]+ 206.982460 129.8
[M+HCOO]- 268.983401 152.0
[M+CH3COO]- 282.999051 184.5
[M+Na-2H]- 244.959866 142.1
[M]+ 223.98465142 136.1
[M]- 223.98574858 136.1
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