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
(1S,5R)-6,6-difluorobicyclo[3.1.0]hexane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

162.04924 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.056516 126.2
[M+Na]+ 185.038458 137.4
[M-H]- 161.041964 128.3
[M+NH4]+ 180.083063 146.2
[M+K]+ 201.012398 134.3
[M+H-H2O]+ 145.046500 121.3
[M+HCOO]- 207.047441 144.5
[M+CH3COO]- 221.063091 178.4
[M+Na-2H]- 183.023906 130.6
[M]+ 162.04869142 125.8
[M]- 162.04978858 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