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
7
Annotation Hits

183
References

56084
Patents

121.97311 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.980386 115.7
[M+Na]+ 144.962328 127.7
[M-H]- 120.965834 119.3
[M+NH4]+ 140.006933 141.7
[M+K]+ 160.936268 118.7
[M+H-H2O]+ 104.970370 117.5
[M+HCOO]- 166.971311 138.0
[M+CH3COO]- 180.986961 169.9
[M+Na-2H]- 142.947776 125.6
[M]+ 121.97256142 134.3
[M]- 121.97365858 134.3
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