CID 350624

2-bromopropanal

Structural Information

Molecular Formula
C3H5BrO
SMILES
CC(C=O)Br
InChI
InChI=1S/C3H5BrO/c1-3(4)2-5/h2-3H,1H3
InChIKey
BJRXZMCJFCAZDL-UHFFFAOYSA-N
Compound name
2-bromopropanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1665
Patents

135.95238 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.959656 117.4
[M+Na]+ 158.941598 129.4
[M-H]- 134.945104 121.1
[M+NH4]+ 153.986203 142.7
[M+K]+ 174.915538 120.5
[M+H-H2O]+ 118.949640 119.0
[M+HCOO]- 180.950581 139.1
[M+CH3COO]- 194.966231 171.5
[M+Na-2H]- 156.927046 126.1
[M]+ 135.95183142 136.0
[M]- 135.95292858 136.0
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