CID 10931475

2-(trifluoromethyl)-1h-pyrrole

Structural Information

Molecular Formula
C5H4F3N
SMILES
C1=CNC(=C1)C(F)(F)F
InChI
InChI=1S/C5H4F3N/c6-5(7,8)4-2-1-3-9-4/h1-3,9H
InChIKey
IVDHYYCFEMRCDZ-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)-1H-pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

340
Patents

135.02959 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.03687 120.0
[M+Na]+ 158.01881 129.2
[M-H]- 134.02231 117.4
[M+NH4]+ 153.06341 141.5
[M+K]+ 173.99275 126.8
[M+H-H2O]+ 118.02685 112.4
[M+HCOO]- 180.02779 139.0
[M+CH3COO]- 194.04344 167.4
[M+Na-2H]- 156.00426 126.4
[M]+ 135.02904 113.6
[M]- 135.03014 113.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe