CID 192748

1885-22-9

Structural Information

Molecular Formula
C3HBrN2
SMILES
C(#N)C(C#N)Br
InChI
InChI=1S/C3HBrN2/c4-3(1-5)2-6/h3H
InChIKey
SFRZRFWPESUWKP-UHFFFAOYSA-N
Compound name
2-bromopropanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

161
Patents

143.93231 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.93959 127.5
[M+Na]+ 166.92153 139.9
[M-H]- 142.92503 130.0
[M+NH4]+ 161.96613 143.8
[M+K]+ 182.89547 132.3
[M+H-H2O]+ 126.92957 117.6
[M+HCOO]- 188.93051 142.5
[M+CH3COO]- 202.94616 208.3
[M+Na-2H]- 164.90698 132.9
[M]+ 143.93176 131.6
[M]- 143.93286 131.6
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