CID 45089983

Methyl 4-fluoro-1h-pyrrole-2-carboxylate

Structural Information

Molecular Formula
C6H6FNO2
SMILES
COC(=O)C1=CC(=CN1)F
InChI
InChI=1S/C6H6FNO2/c1-10-6(9)5-2-4(7)3-8-5/h2-3,8H,1H3
InChIKey
DQCVQMRMLSMVDL-UHFFFAOYSA-N
Compound name
methyl 4-fluoro-1H-pyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

107
Patents

143.03825 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.04553 124.7
[M+Na]+ 166.02747 133.8
[M-H]- 142.03097 124.8
[M+NH4]+ 161.07207 146.1
[M+K]+ 182.00141 132.4
[M+H-H2O]+ 126.03551 118.3
[M+HCOO]- 188.03645 146.8
[M+CH3COO]- 202.05210 169.4
[M+Na-2H]- 164.01292 129.2
[M]+ 143.03770 123.5
[M]- 143.03880 123.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe