CID 70197

2-bromoacrylonitrile

Structural Information

Molecular Formula
C3H2BrN
SMILES
C=C(C#N)Br
InChI
InChI=1S/C3H2BrN/c1-3(4)2-5/h1H2
InChIKey
CMPIGRYBIGUGTH-UHFFFAOYSA-N
Compound name
2-bromoprop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3939
Patents

130.93706 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.94434 112.9
[M+Na]+ 153.92628 126.7
[M-H]- 129.92978 115.8
[M+NH4]+ 148.97088 135.8
[M+K]+ 169.90022 117.1
[M+H-H2O]+ 113.93432 107.6
[M+HCOO]- 175.93526 133.4
[M+CH3COO]- 189.95091 183.8
[M+Na-2H]- 151.91173 121.5
[M]+ 130.93651 123.9
[M]- 130.93761 123.9
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