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

792
Patents

135.95238 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.95966 117.9
[M+Na]+ 158.94160 120.1
[M+NH4]+ 153.98620 123.0
[M+K]+ 174.91554 121.1
[M-H]- 134.94510 116.5
[M+Na-2H]- 156.92705 120.0
[M]+ 135.95183 116.5
[M]- 135.95293 116.5
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