CID 165600301

2385817-07-0

Structural Information

Molecular Formula
C6H6F2O2
SMILES
C1C2CC1(C2(F)F)C(=O)O
InChI
InChI=1S/C6H6F2O2/c7-6(8)3-1-5(6,2-3)4(9)10/h3H,1-2H2,(H,9,10)
InChIKey
QLGGOHGGLOIYFR-UHFFFAOYSA-N
Compound name
2,2-difluorobicyclo[1.1.1]pentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.03358 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.04086 149.4
[M+Na]+ 171.02280 154.6
[M-H]- 147.02630 150.4
[M+NH4]+ 166.06740 156.1
[M+K]+ 186.99674 159.7
[M+H-H2O]+ 131.03084 136.6
[M+HCOO]- 193.03178 160.1
[M+CH3COO]- 207.04743 203.1
[M+Na-2H]- 169.00825 154.6
[M]+ 148.03303 171.8
[M]- 148.03413 171.8
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

No patent data available for this compound.