CID 167738687

2-fluoro-3-(1-methyl-1h-pyrrol-2-yl)prop-2-enoic acid

Structural Information

Molecular Formula
C8H8FNO2
SMILES
CN1C=CC=C1/C=C(/C(=O)O)\F
InChI
InChI=1S/C8H8FNO2/c1-10-4-2-3-6(10)5-7(9)8(11)12/h2-5H,1H3,(H,11,12)/b7-5-
InChIKey
DOUHYPORWGAROY-ALCCZGGFSA-N
Compound name
(Z)-2-fluoro-3-(1-methylpyrrol-2-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.05391 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.06119 133.1
[M+Na]+ 192.04313 141.4
[M-H]- 168.04663 133.1
[M+NH4]+ 187.08773 153.3
[M+K]+ 208.01707 139.4
[M+H-H2O]+ 152.05117 126.5
[M+HCOO]- 214.05211 153.7
[M+CH3COO]- 228.06776 175.5
[M+Na-2H]- 190.02858 135.3
[M]+ 169.05336 131.3
[M]- 169.05446 131.3
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.