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

19
Patents

144.95271 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.95999 119.1
[M+Na]+ 167.94193 138.9
[M-H]- 143.94543 127.4
[M+NH4]+ 162.98653 140.7
[M+K]+ 183.91587 126.1
[M+H-H2O]+ 127.94997 116.4
[M+HCOO]- 189.95091 141.7
[M+CH3COO]- 203.96656 187.9
[M+Na-2H]- 165.92738 130.8
[M]+ 144.95216 134.1
[M]- 144.95326 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