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]+ 170.061186 133.1
[M+Na]+ 192.043128 141.4
[M-H]- 168.046634 133.1
[M+NH4]+ 187.087733 153.3
[M+K]+ 208.017068 139.4
[M+H-H2O]+ 152.051170 126.5
[M+HCOO]- 214.052111 153.7
[M+CH3COO]- 228.067761 175.5
[M+Na-2H]- 190.028576 135.3
[M]+ 169.05336142 131.3
[M]- 169.05445858 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.