CID 118061823

2384666-57-1

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]+ 177.07216 135.6
[M+Na]+ 199.05410 145.3
[M-H]- 175.05760 139.6
[M+NH4]+ 194.09870 150.2
[M+K]+ 215.02804 147.0
[M+H-H2O]+ 159.06214 128.5
[M+HCOO]- 221.06308 152.2
[M+CH3COO]- 235.07873 184.0
[M+Na-2H]- 197.03955 141.9
[M]+ 176.06433 144.2
[M]- 176.06543 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