CID 84764728

3,3-difluoro-1-methylcyclopentane-1-carboxylic acid

Structural Information

Molecular Formula
C7H10F2O2
SMILES
CC1(CCC(C1)(F)F)C(=O)O
InChI
InChI=1S/C7H10F2O2/c1-6(5(10)11)2-3-7(8,9)4-6/h2-4H2,1H3,(H,10,11)
InChIKey
RQOUOWUWKACQCO-UHFFFAOYSA-N
Compound name
3,3-difluoro-1-methylcyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

164.06488 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.07216 129.2
[M+Na]+ 187.05410 137.7
[M-H]- 163.05760 129.3
[M+NH4]+ 182.09870 154.8
[M+K]+ 203.02804 136.4
[M+H-H2O]+ 147.06214 124.9
[M+HCOO]- 209.06308 148.2
[M+CH3COO]- 223.07873 173.4
[M+Na-2H]- 185.03955 133.3
[M]+ 164.06433 124.6
[M]- 164.06543 124.6
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