CID 14968208

144219-81-8

Structural Information

Molecular Formula
C7H6F3NO
SMILES
CN1C=CC(=C1)C(=O)C(F)(F)F
InChI
InChI=1S/C7H6F3NO/c1-11-3-2-5(4-11)6(12)7(8,9)10/h2-4H,1H3
InChIKey
LLOAKDAUOWGUJY-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

177.04015 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.04743 130.3
[M+Na]+ 200.02937 140.1
[M-H]- 176.03287 129.3
[M+NH4]+ 195.07397 151.1
[M+K]+ 216.00331 138.4
[M+H-H2O]+ 160.03741 122.5
[M+HCOO]- 222.03835 149.6
[M+CH3COO]- 236.05400 179.1
[M+Na-2H]- 198.01482 134.4
[M]+ 177.03960 127.1
[M]- 177.04070 127.1
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