CID 16227324

923723-55-1

Structural Information

Molecular Formula
C15H13ClFN3O
SMILES
CC1=C(N(C(=C1C#N)NC(=O)CCl)C2=CC=C(C=C2)F)C
InChI
InChI=1S/C15H13ClFN3O/c1-9-10(2)20(12-5-3-11(17)4-6-12)15(13(9)8-18)19-14(21)7-16/h3-6H,7H2,1-2H3,(H,19,21)
InChIKey
OSFNPMVTACBBBU-UHFFFAOYSA-N
Compound name
2-chloro-N-[3-cyano-1-(4-fluorophenyl)-4,5-dimethylpyrrol-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.07312 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.08040 169.3
[M+Na]+ 328.06234 181.5
[M-H]- 304.06584 172.8
[M+NH4]+ 323.10694 184.0
[M+K]+ 344.03628 174.4
[M+H-H2O]+ 288.07038 154.8
[M+HCOO]- 350.07132 184.1
[M+CH3COO]- 364.08697 216.7
[M+Na-2H]- 326.04779 168.6
[M]+ 305.07257 166.5
[M]- 305.07367 166.5
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.