CID 165632476

2228732-46-3

Structural Information

Molecular Formula

C₃H₂F₂N₄O₂

SMILES

C1(=NNN=N1)C(C(=O)O)(F)F

InChI

InChI=1S/C3H2F2N4O2/c4-3(5,2(10)11)1-6-8-9-7-1/h(H,10,11)(H,6,7,8,9)

InChIKey

JTGUOQLBLGMZBT-UHFFFAOYSA-N

Compound name

2,2-difluoro-2-(2H-tetrazol-5-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 164.01459 Da
Monoisotopic Mass: -0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	165.02187	127.7
[M+Na]+	187.00381	137.0
[M-H]-	163.00731	121.3
[M+NH4]+	182.04841	142.9
[M+K]+	202.97775	135.1
[M+H-H2O]+	147.01185	118.7
[M+HCOO]-	209.01279	142.5
[M+CH3COO]-	223.02844	169.3
[M+Na-2H]-	184.98926	133.8
[M]+	164.01404	123.0
[M]-	164.01514	123.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe