CID 5057425

3-(trifluoromethyl)phenyl chloroformate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

174
Patents

223.9852 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.99248 136.6
[M+Na]+ 246.97442 146.9
[M-H]- 222.97792 136.9
[M+NH4]+ 242.01902 155.9
[M+K]+ 262.94836 143.3
[M+H-H2O]+ 206.98246 129.8
[M+HCOO]- 268.98340 152.0
[M+CH3COO]- 282.99905 184.5
[M+Na-2H]- 244.95987 142.1
[M]+ 223.98465 136.1
[M]- 223.98575 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