CID 67699

1-bromo-3-fluoropropane

Structural Information

Molecular Formula
C3H6BrF
SMILES
C(CF)CBr
InChI
InChI=1S/C3H6BrF/c4-2-1-3-5/h1-3H2
InChIKey
VNHWPVLQRKKKRY-UHFFFAOYSA-N
Compound name
1-bromo-3-fluoropropane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

1513
Patents

139.96368 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.97096 119.3
[M+Na]+ 162.95290 131.3
[M-H]- 138.95640 121.6
[M+NH4]+ 157.99750 144.5
[M+K]+ 178.92684 121.8
[M+H-H2O]+ 122.96094 120.1
[M+HCOO]- 184.96188 140.6
[M+CH3COO]- 198.97753 172.4
[M+Na-2H]- 160.93835 128.5
[M]+ 139.96313 136.7
[M]- 139.96423 136.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe