CID 177800230

2-cyano-6,6-difluorospiro[3.3]heptane-2-carboxylic acid

Structural Information

Molecular Formula
C9H9F2NO2
SMILES
C1C2(CC1(C#N)C(=O)O)CC(C2)(F)F
InChI
InChI=1S/C9H9F2NO2/c10-9(11)3-7(4-9)1-8(2-7,5-12)6(13)14/h1-4H2,(H,13,14)
InChIKey
BZEBKDYJDCKTPG-UHFFFAOYSA-N
Compound name
6-cyano-2,2-difluorospiro[3.3]heptane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.06013 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.06741 134.8
[M+Na]+ 224.04935 142.6
[M-H]- 200.05285 138.0
[M+NH4]+ 219.09395 144.9
[M+K]+ 240.02329 145.7
[M+H-H2O]+ 184.05739 119.1
[M+HCOO]- 246.05833 147.3
[M+CH3COO]- 260.07398 203.8
[M+Na-2H]- 222.03480 139.9
[M]+ 201.05958 142.2
[M]- 201.06068 142.2
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.