CID 21086015

1350746-42-7

Structural Information

Molecular Formula
C4H4BrN
SMILES
C1CC1(C#N)Br
InChI
InChI=1S/C4H4BrN/c5-4(3-6)1-2-4/h1-2H2
InChIKey
ZJLUXBWDBMMBMZ-UHFFFAOYSA-N
Compound name
1-bromocyclopropane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

144.95271 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.959986 119.1
[M+Na]+ 167.941928 138.9
[M-H]- 143.945434 127.4
[M+NH4]+ 162.986533 140.7
[M+K]+ 183.915868 126.1
[M+H-H2O]+ 127.949970 116.4
[M+HCOO]- 189.950911 141.7
[M+CH3COO]- 203.966561 187.9
[M+Na-2H]- 165.927376 130.8
[M]+ 144.95216142 134.1
[M]- 144.95325858 134.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe