CID 155858456

2384646-61-9

Structural Information

Molecular Formula
C8H6F3NO3
SMILES
C1=CC(=CN=C1)OC(=O)OCC(F)(F)F
InChI
InChI=1S/C8H6F3NO3/c9-8(10,11)5-14-7(13)15-6-2-1-3-12-4-6/h1-4H,5H2
InChIKey
AWYHAMMIPABSJV-UHFFFAOYSA-N
Compound name
pyridin-3-yl 2,2,2-trifluoroethyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.02998 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.03726 140.7
[M+Na]+ 244.01920 149.2
[M-H]- 220.02270 139.2
[M+NH4]+ 239.06380 157.5
[M+K]+ 259.99314 147.9
[M+H-H2O]+ 204.02724 131.6
[M+HCOO]- 266.02818 159.4
[M+CH3COO]- 280.04383 183.5
[M+Na-2H]- 242.00465 147.2
[M]+ 221.02943 139.4
[M]- 221.03053 139.4
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

No patent data available for this compound.