CID 83819786

2-(4-bromo-1h-pyrazol-5-yl)acetic acid hydrochloride

Structural Information

Molecular Formula
C5H5BrN2O2
SMILES
C1=NNC(=C1Br)CC(=O)O
InChI
InChI=1S/C5H5BrN2O2/c6-3-2-7-8-4(3)1-5(9)10/h2H,1H2,(H,7,8)(H,9,10)
InChIKey
NWVCPYSDHQUCPD-UHFFFAOYSA-N
Compound name
2-(4-bromo-1H-pyrazol-5-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.95345 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.96073 133.1
[M+Na]+ 226.94267 145.3
[M-H]- 202.94617 134.8
[M+NH4]+ 221.98727 153.6
[M+K]+ 242.91661 134.4
[M+H-H2O]+ 186.95071 132.8
[M+HCOO]- 248.95165 151.5
[M+CH3COO]- 262.96730 175.7
[M+Na-2H]- 224.92812 139.2
[M]+ 203.95290 150.0
[M]- 203.95400 150.0
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.