CID 11322337

693826-97-0

Structural Information

Molecular Formula
C10H14F3NO2
SMILES
CC(C)(C)OC(=O)N1CC=C(C1)C(F)(F)F
InChI
InChI=1S/C10H14F3NO2/c1-9(2,3)16-8(15)14-5-4-7(6-14)10(11,12)13/h4H,5-6H2,1-3H3
InChIKey
VYTGKLCSSXKVTE-UHFFFAOYSA-N
Compound name
tert-butyl 3-(trifluoromethyl)-2,5-dihydropyrrole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

237.09766 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.10494 149.5
[M+Na]+ 260.08688 157.6
[M-H]- 236.09038 148.1
[M+NH4]+ 255.13148 168.1
[M+K]+ 276.06082 156.4
[M+H-H2O]+ 220.09492 141.9
[M+HCOO]- 282.09586 165.1
[M+CH3COO]- 296.11151 188.9
[M+Na-2H]- 258.07233 152.2
[M]+ 237.09711 146.6
[M]- 237.09821 146.6
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