CID 119030878

5-(trifluoromethyl)-1h-pyrrole-3-carbaldehyde

Structural Information

Molecular Formula
C6H4F3NO
SMILES
C1=C(NC=C1C=O)C(F)(F)F
InChI
InChI=1S/C6H4F3NO/c7-6(8,9)5-1-4(3-11)2-10-5/h1-3,10H
InChIKey
XNOHUEUZMHMZKO-UHFFFAOYSA-N
Compound name
5-(trifluoromethyl)-1H-pyrrole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.0245 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.03178 126.3
[M+Na]+ 186.01372 136.3
[M-H]- 162.01722 123.9
[M+NH4]+ 181.05832 146.9
[M+K]+ 201.98766 133.4
[M+H-H2O]+ 146.02176 118.8
[M+HCOO]- 208.02270 145.4
[M+CH3COO]- 222.03835 172.5
[M+Na-2H]- 183.99917 131.6
[M]+ 163.02395 121.4
[M]- 163.02505 121.4
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.