CID 10420252

4-bromobutyl nitrate

Structural Information

Molecular Formula
C4H8BrNO3
SMILES
C(CCBr)CO[N+](=O)[O-]
InChI
InChI=1S/C4H8BrNO3/c5-3-1-2-4-9-6(7)8/h1-4H2
InChIKey
IKDHVMDABUMCLO-UHFFFAOYSA-N
Compound name
4-bromobutyl nitrate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

142
Patents

196.96877 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.97605 137.2
[M+Na]+ 219.95799 138.9
[M+NH4]+ 215.00259 141.3
[M+K]+ 235.93193 141.7
[M-H]- 195.96149 136.4
[M+Na-2H]- 217.94344 137.8
[M]+ 196.96822 135.8
[M]- 196.96932 135.8
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