CID 7840

1-bromopropane

Structural Information

Molecular Formula
C3H7Br
SMILES
CCCBr
InChI
InChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3
InChIKey
CYNYIHKIEHGYOZ-UHFFFAOYSA-N
Compound name
1-bromopropane
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

183
References

35107
Patents

121.97311 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.98039 116.6
[M+Na]+ 144.96233 119.5
[M+NH4]+ 140.00693 122.5
[M+K]+ 160.93627 119.3
[M-H]- 120.96583 116.1
[M+Na-2H]- 142.94778 119.5
[M]+ 121.97256 115.6
[M]- 121.97366 115.6
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