CID 42962345

3-(3-fluorophenyl)-2-(5-methyl-1h-1,2,3,4-tetrazol-1-yl)propanoic acid

Structural Information

Molecular Formula
C11H11FN4O2
SMILES
CC1=NN=NN1C(CC2=CC(=CC=C2)F)C(=O)O
InChI
InChI=1S/C11H11FN4O2/c1-7-13-14-15-16(7)10(11(17)18)6-8-3-2-4-9(12)5-8/h2-5,10H,6H2,1H3,(H,17,18)
InChIKey
FFHIYWWUHFXPBD-UHFFFAOYSA-N
Compound name
3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.08661 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.09389 153.3
[M+Na]+ 273.07583 162.1
[M-H]- 249.07933 152.7
[M+NH4]+ 268.12043 165.9
[M+K]+ 289.04977 158.6
[M+H-H2O]+ 233.08387 143.0
[M+HCOO]- 295.08481 170.1
[M+CH3COO]- 309.10046 191.4
[M+Na-2H]- 271.06128 155.5
[M]+ 250.08606 152.9
[M]- 250.08716 152.9
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.