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

48
Patents

175.9852 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.99248 124.7
[M+Na]+ 198.97442 134.1
[M-H]- 174.97792 121.7
[M+NH4]+ 194.01902 145.9
[M+K]+ 214.94836 132.6
[M+H-H2O]+ 158.98246 119.5
[M+HCOO]- 220.98340 138.9
[M+CH3COO]- 234.99905 177.0
[M+Na-2H]- 196.95987 129.3
[M]+ 175.98465 123.7
[M]- 175.98575 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