CID 11412754

1378807-68-1

Structural Information

Molecular Formula
C4H4BrFO2
SMILES
C1C(C1(F)Br)C(=O)O
InChI
InChI=1S/C4H4BrFO2/c5-4(6)1-2(4)3(7)8/h2H,1H2,(H,7,8)
InChIKey
VKMJVFKZHRAUSL-UHFFFAOYSA-N
Compound name
2-bromo-2-fluorocyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

181.93787 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.94515 126.2
[M+Na]+ 204.92709 140.5
[M-H]- 180.93059 131.8
[M+NH4]+ 199.97169 146.3
[M+K]+ 220.90103 130.1
[M+H-H2O]+ 164.93513 127.1
[M+HCOO]- 226.93607 145.5
[M+CH3COO]- 240.95172 178.8
[M+Na-2H]- 202.91254 134.1
[M]+ 181.93732 145.0
[M]- 181.93842 145.0
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

patents stripe