CID 55004

Bromochloroacetonitrile

Structural Information

Molecular Formula
C2HBrClN
SMILES
C(#N)C(Cl)Br
InChI
InChI=1S/C2HBrClN/c3-2(4)1-5/h2H
InChIKey
BMWPPNAUMLRKML-UHFFFAOYSA-N
Compound name
2-bromo-2-chloroacetonitrile
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

10
References

148
Patents

152.89809 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.90537 114.4
[M+Na]+ 175.88731 129.4
[M-H]- 151.89081 117.4
[M+NH4]+ 170.93191 137.5
[M+K]+ 191.86125 118.4
[M+H-H2O]+ 135.89535 110.1
[M+HCOO]- 197.89629 131.2
[M+CH3COO]- 211.91194 185.4
[M+Na-2H]- 173.87276 123.2
[M]+ 152.89754 127.2
[M]- 152.89864 127.2
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