CID 155973689

4,4-difluorocyclopent-1-ene-1,2-dicarboxylic acid

Structural Information

Molecular Formula
C7H6F2O4
SMILES
C1C(=C(CC1(F)F)C(=O)O)C(=O)O
InChI
InChI=1S/C7H6F2O4/c8-7(9)1-3(5(10)11)4(2-7)6(12)13/h1-2H2,(H,10,11)(H,12,13)
InChIKey
LSRVKCSXZQEQRP-UHFFFAOYSA-N
Compound name
4,4-difluorocyclopentene-1,2-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.02342 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.03070 132.6
[M+Na]+ 215.01264 141.5
[M-H]- 191.01614 131.6
[M+NH4]+ 210.05724 154.4
[M+K]+ 230.98658 139.8
[M+H-H2O]+ 175.02068 127.7
[M+HCOO]- 237.02162 151.2
[M+CH3COO]- 251.03727 176.1
[M+Na-2H]- 212.99809 134.3
[M]+ 192.02287 129.1
[M]- 192.02397 129.1
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.