CID 89686422

1447972-24-8

Structural Information

Molecular Formula
C7H8F2O2
SMILES
C1[C@@H]2[C@@H](C2(F)F)CC1C(=O)O
InChI
InChI=1S/C7H8F2O2/c8-7(9)4-1-3(6(10)11)2-5(4)7/h3-5H,1-2H2,(H,10,11)/t3?,4-,5+
InChIKey
IOQVITCQIHHDBC-NVGWPGHNSA-N
Compound name
(1R,5S)-6,6-difluorobicyclo[3.1.0]hexane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

162.04924 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.05652 126.2
[M+Na]+ 185.03846 137.4
[M-H]- 161.04196 128.3
[M+NH4]+ 180.08306 146.2
[M+K]+ 201.01240 134.3
[M+H-H2O]+ 145.04650 121.3
[M+HCOO]- 207.04744 144.5
[M+CH3COO]- 221.06309 178.4
[M+Na-2H]- 183.02391 130.6
[M]+ 162.04869 125.8
[M]- 162.04979 125.8
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