CID 140621

1-bromo-2-fluoro-2-methylpropane

Structural Information

Molecular Formula
C4H8BrF
SMILES
CC(C)(CBr)F
InChI
InChI=1S/C4H8BrF/c1-4(2,6)3-5/h3H2,1-2H3
InChIKey
LJNXHUCQQXLSHS-UHFFFAOYSA-N
Compound name
1-bromo-2-fluoro-2-methylpropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

153.97934 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.986616 124.9
[M+Na]+ 176.968558 137.0
[M-H]- 152.972064 127.3
[M+NH4]+ 172.013163 149.7
[M+K]+ 192.942498 127.4
[M+H-H2O]+ 136.976600 126.0
[M+HCOO]- 198.977541 144.4
[M+CH3COO]- 212.993191 175.5
[M+Na-2H]- 174.954006 133.9
[M]+ 153.97879142 142.2
[M]- 153.97988858 142.2
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