CID 114692401

1593023-61-0

Structural Information

Molecular Formula
C7H8Br2N2
SMILES
C1CC1CN2C(=CC(=N2)Br)Br
InChI
InChI=1S/C7H8Br2N2/c8-6-3-7(9)11(10-6)4-5-1-2-5/h3,5H,1-2,4H2
InChIKey
CJIDRUSNGLABNZ-UHFFFAOYSA-N
Compound name
3,5-dibromo-1-(cyclopropylmethyl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.90543 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.91271 143.9
[M+Na]+ 300.89465 158.1
[M-H]- 276.89815 152.2
[M+NH4]+ 295.93925 159.9
[M+K]+ 316.86859 142.3
[M+H-H2O]+ 260.90269 151.0
[M+HCOO]- 322.90363 160.4
[M+CH3COO]- 336.91928 158.2
[M+Na-2H]- 298.88010 150.2
[M]+ 277.90488 178.4
[M]- 277.90598 178.4
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

No patent data available for this compound.