CID 89705004

1448326-17-7

Structural Information

Molecular Formula
C6H8F2O2
SMILES
C1[C@H]([C@H](CC1C(=O)O)F)F
InChI
InChI=1S/C6H8F2O2/c7-4-1-3(6(9)10)2-5(4)8/h3-5H,1-2H2,(H,9,10)/t3?,4-,5+
InChIKey
QNYMBVQEIHRRQE-NVGWPGHNSA-N
Compound name
cis-(3R,4S)-3,4-difluorocyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

150.04924 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.056516 126.2
[M+Na]+ 173.038458 134.2
[M-H]- 149.041964 126.0
[M+NH4]+ 168.083063 148.6
[M+K]+ 189.012398 132.8
[M+H-H2O]+ 133.046500 120.3
[M+HCOO]- 195.047441 145.5
[M+CH3COO]- 209.063091 172.2
[M+Na-2H]- 171.023906 127.6
[M]+ 150.04869142 120.8
[M]- 150.04978858 120.8
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