CID 53423695

2-bromo-4-fluorobutanoicacid

Structural Information

Molecular Formula
C4H6BrFO2
SMILES
C(CF)C(C(=O)O)Br
InChI
InChI=1S/C4H6BrFO2/c5-3(1-2-6)4(7)8/h3H,1-2H2,(H,7,8)
InChIKey
OZVSFRKAHQEGMM-UHFFFAOYSA-N
Compound name
2-bromo-4-fluorobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

183.95352 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.96080 130.2
[M+Na]+ 206.94274 140.9
[M-H]- 182.94624 130.9
[M+NH4]+ 201.98734 152.6
[M+K]+ 222.91668 131.1
[M+H-H2O]+ 166.95078 130.3
[M+HCOO]- 228.95172 148.3
[M+CH3COO]- 242.96737 176.9
[M+Na-2H]- 204.92819 135.6
[M]+ 183.95297 146.8
[M]- 183.95407 146.8
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

patents stripe