CID 52142099

4-bromo-1-cyclopropyl-1h-pyrazole

Structural Information

Molecular Formula
C6H7BrN2
SMILES
C1CC1N2C=C(C=N2)Br
InChI
InChI=1S/C6H7BrN2/c7-5-3-8-9(4-5)6-1-2-6/h3-4,6H,1-2H2
InChIKey
PCWRBBLXAOCSQC-UHFFFAOYSA-N
Compound name
4-bromo-1-cyclopropylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

227
Patents

185.97926 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.986536 135.3
[M+Na]+ 208.968478 150.3
[M-H]- 184.971984 143.2
[M+NH4]+ 204.013083 153.5
[M+K]+ 224.942418 139.2
[M+H-H2O]+ 168.976520 134.3
[M+HCOO]- 230.977461 157.2
[M+CH3COO]- 244.993111 151.1
[M+Na-2H]- 206.953926 142.9
[M]+ 185.97871142 154.9
[M]- 185.97980858 154.9
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