CID 118061823

1,1-difluoro-5-methylspiro[2.3]hexane-5-carboxylic acid

Structural Information

Molecular Formula
C8H10F2O2
SMILES
CC1(CC2(C1)CC2(F)F)C(=O)O
InChI
InChI=1S/C8H10F2O2/c1-6(5(11)12)2-7(3-6)4-8(7,9)10/h2-4H2,1H3,(H,11,12)
InChIKey
ZLALTRNMQHAPGB-UHFFFAOYSA-N
Compound name
2,2-difluoro-5-methylspiro[2.3]hexane-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

176.06488 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.072156 135.6
[M+Na]+ 199.054098 145.3
[M-H]- 175.057604 139.6
[M+NH4]+ 194.098703 150.2
[M+K]+ 215.028038 147.0
[M+H-H2O]+ 159.062140 128.5
[M+HCOO]- 221.063081 152.2
[M+CH3COO]- 235.078731 184.0
[M+Na-2H]- 197.039546 141.9
[M]+ 176.06433142 144.2
[M]- 176.06542858 144.2
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

patents stripe