CID 85604273

3-(heptafluoropropyl)-5-methyl-1h-pyrrole-2-carbaldehyde

Structural Information

Molecular Formula
C9H6F7NO
SMILES
CC1=CC(=C(N1)C=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H6F7NO/c1-4-2-5(6(3-18)17-4)7(10,11)8(12,13)9(14,15)16/h2-3,17H,1H3
InChIKey
UNGNFRUVFWDOJY-UHFFFAOYSA-N
Compound name
3-(1,1,2,2,3,3,3-heptafluoropropyl)-5-methyl-1H-pyrrole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.03375 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.04103 178.1
[M+Na]+ 300.02297 180.5
[M+NH4]+ 295.06757 178.4
[M+K]+ 315.99691 178.4
[M-H]- 276.02647 169.4
[M+Na-2H]- 298.00842 176.0
[M]+ 277.03320 175.5
[M]- 277.03430 175.5
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.