CID 82396998

5-bromo-1,4-dimethyl-1h-pyrazole-3-carbaldehyde

Structural Information

Molecular Formula
C6H7BrN2O
SMILES
CC1=C(N(N=C1C=O)C)Br
InChI
InChI=1S/C6H7BrN2O/c1-4-5(3-10)8-9(2)6(4)7/h3H,1-2H3
InChIKey
YPVFLSVGJNOXNT-UHFFFAOYSA-N
Compound name
5-bromo-1,4-dimethylpyrazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.97418 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.98146 131.0
[M+Na]+ 224.96340 146.0
[M-H]- 200.96690 135.9
[M+NH4]+ 220.00800 153.8
[M+K]+ 240.93734 135.7
[M+H-H2O]+ 184.97144 131.1
[M+HCOO]- 246.97238 152.8
[M+CH3COO]- 260.98803 182.9
[M+Na-2H]- 222.94885 137.7
[M]+ 201.97363 152.0
[M]- 201.97473 152.0
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.