CID 155821302

2,2-difluorobicyclo[1.1.1]pentane-1,3-dicarboxylic acid

Structural Information

Molecular Formula
C7H6F2O4
SMILES
C1C2(CC1(C2(F)F)C(=O)O)C(=O)O
InChI
InChI=1S/C7H6F2O4/c8-7(9)5(3(10)11)1-6(7,2-5)4(12)13/h1-2H2,(H,10,11)(H,12,13)
InChIKey
SEFABKCVCYQVTF-UHFFFAOYSA-N
Compound name
2,2-difluorobicyclo[1.1.1]pentane-1,3-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.02342 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.03070 167.7
[M+Na]+ 215.01264 171.8
[M-H]- 191.01614 167.4
[M+NH4]+ 210.05724 173.3
[M+K]+ 230.98658 176.7
[M+H-H2O]+ 175.02068 155.5
[M+HCOO]- 237.02162 175.8
[M+CH3COO]- 251.03727 206.5
[M+Na-2H]- 212.99809 170.9
[M]+ 192.02287 190.0
[M]- 192.02397 190.0
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.