CID 3834485

299169-87-2

Structural Information

Molecular Formula
C12H8F3NO
SMILES
C1=CC(=CC(=C1)N2C=CC=C2C=O)C(F)(F)F
InChI
InChI=1S/C12H8F3NO/c13-12(14,15)9-3-1-4-10(7-9)16-6-2-5-11(16)8-17/h1-8H
InChIKey
IKOMWABSKKZKMK-UHFFFAOYSA-N
Compound name
1-[3-(trifluoromethyl)phenyl]pyrrole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.0558 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.06308 147.0
[M+Na]+ 262.04502 157.3
[M-H]- 238.04852 149.2
[M+NH4]+ 257.08962 165.2
[M+K]+ 278.01896 152.9
[M+H-H2O]+ 222.05306 137.7
[M+HCOO]- 284.05400 167.2
[M+CH3COO]- 298.06965 189.9
[M+Na-2H]- 260.03047 151.2
[M]+ 239.05525 144.3
[M]- 239.05635 144.3
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.