CID 165978883

2,2-dichloro-1-fluorocyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C4H3Cl2FO2
SMILES
C1C(C1(Cl)Cl)(C(=O)O)F
InChI
InChI=1S/C4H3Cl2FO2/c5-4(6)1-3(4,7)2(8)9/h1H2,(H,8,9)
InChIKey
YMCCPPMJLLMUHF-UHFFFAOYSA-N
Compound name
2,2-dichloro-1-fluorocyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.94942 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.95670 118.5
[M+Na]+ 194.93864 130.6
[M-H]- 170.94214 120.9
[M+NH4]+ 189.98324 138.2
[M+K]+ 210.91258 127.2
[M+H-H2O]+ 154.94668 117.3
[M+HCOO]- 216.94762 130.6
[M+CH3COO]- 230.96327 176.5
[M+Na-2H]- 192.92409 125.9
[M]+ 171.94887 122.4
[M]- 171.94997 122.4
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.