CID 89692968

2,2-difluoro-2-(1-methoxycyclohexyl)acetic acid

Structural Information

Molecular Formula
C9H14F2O3
SMILES
COC1(CCCCC1)C(C(=O)O)(F)F
InChI
InChI=1S/C9H14F2O3/c1-14-8(5-3-2-4-6-8)9(10,11)7(12)13/h2-6H2,1H3,(H,12,13)
InChIKey
CHJVQDFNFQWINE-UHFFFAOYSA-N
Compound name
2,2-difluoro-2-(1-methoxycyclohexyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

208.0911 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.098376 143.4
[M+Na]+ 231.080318 148.6
[M-H]- 207.083824 142.3
[M+NH4]+ 226.124923 163.0
[M+K]+ 247.054258 147.8
[M+H-H2O]+ 191.088360 137.5
[M+HCOO]- 253.089301 158.2
[M+CH3COO]- 267.104951 181.2
[M+Na-2H]- 229.065766 147.8
[M]+ 208.09055142 137.6
[M]- 208.09164858 137.6
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