CID 58270348

1,1,1-trifluoropropan-2-yl carbonochloridate

Structural Information

Molecular Formula
C4H4ClF3O2
SMILES
CC(C(F)(F)F)OC(=O)Cl
InChI
InChI=1S/C4H4ClF3O2/c1-2(4(6,7)8)10-3(5)9/h2H,1H3
InChIKey
KBGUMWDAVOODOL-UHFFFAOYSA-N
Compound name
1,1,1-trifluoropropan-2-yl carbonochloridate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

175.9852 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.992476 124.7
[M+Na]+ 198.974418 134.1
[M-H]- 174.977924 121.7
[M+NH4]+ 194.019023 145.9
[M+K]+ 214.948358 132.6
[M+H-H2O]+ 158.982460 119.5
[M+HCOO]- 220.983401 138.9
[M+CH3COO]- 234.999051 177.0
[M+Na-2H]- 196.959866 129.3
[M]+ 175.98465142 123.7
[M]- 175.98574858 123.7
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