CID 47082430

2,2,2-trifluoroethyl n-(1-phenyl-1h-pyrazol-3-yl)carbamate

Structural Information

Molecular Formula
C12H10F3N3O2
SMILES
C1=CC=C(C=C1)N2C=CC(=N2)NC(=O)OCC(F)(F)F
InChI
InChI=1S/C12H10F3N3O2/c13-12(14,15)8-20-11(19)16-10-6-7-18(17-10)9-4-2-1-3-5-9/h1-7H,8H2,(H,16,17,19)
InChIKey
ANAVBRAHPKFEED-UHFFFAOYSA-N
Compound name
2,2,2-trifluoroethyl N-(1-phenylpyrazol-3-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.0725 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.079776 158.4
[M+Na]+ 308.061718 166.4
[M-H]- 284.065224 158.9
[M+NH4]+ 303.106323 172.6
[M+K]+ 324.035658 162.9
[M+H-H2O]+ 268.069760 147.3
[M+HCOO]- 330.070701 177.5
[M+CH3COO]- 344.086351 197.8
[M+Na-2H]- 306.047166 162.7
[M]+ 285.07195142 155.7
[M]- 285.07304858 155.7
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

No patent data available for this compound.