CID 167741907

Methyl 3-(difluoromethyl)-1h-pyrrole-2-carboxylate

Structural Information

Molecular Formula
C7H7F2NO2
SMILES
COC(=O)C1=C(C=CN1)C(F)F
InChI
InChI=1S/C7H7F2NO2/c1-12-7(11)5-4(6(8)9)2-3-10-5/h2-3,6,10H,1H3
InChIKey
KUXLMBMBGYCYPO-UHFFFAOYSA-N
Compound name
methyl 3-(difluoromethyl)-1H-pyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.04448 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.05176 131.9
[M+Na]+ 198.03370 140.4
[M-H]- 174.03720 130.6
[M+NH4]+ 193.07830 151.9
[M+K]+ 214.00764 138.8
[M+H-H2O]+ 158.04174 124.5
[M+HCOO]- 220.04268 151.6
[M+CH3COO]- 234.05833 176.1
[M+Na-2H]- 196.01915 134.1
[M]+ 175.04393 129.3
[M]- 175.04503 129.3
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.